Geometry & MOs

Info

ID:

316353

PubChem CID:

126630780

Reduced:

N5H63C89 (1)

Stoich.:

A5B63C89 (1)

Weight, g/mol:

1201.508347

ΔHf, kcal/mol:

345.87

Dipole, Da:

4.44

IP(EA), eV:

 -7.99(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[4,6-bis[3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]quinazolin-2-yl]phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=CC=CC=C5N4C6=CC=CC(=C6)C7=CC8=C(C=C7)N=C(N=C8C9=CC(=CC=C9)N1C2=CC=CC=C2C2=CC3=C(C=C21)C(C1=CC=CC=C13)(C)C)C1=CC(=CC=C1)N1C2=CC=CC=C2C2=CC3=C(C=C21)C(C1=CC=CC=C13)(C)C)C

DOS

IR

Vibrations