Geometry & MOs

Info

ID:

316336

PubChem CID:

126630686

Reduced:

NH10C14 (6)

Stoich.:

AB10C14 (6)

Weight, g/mol:

1201.508347

ΔHf, kcal/mol:

357.61

Dipole, Da:

1.35

IP(EA), eV:

 -8.41(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[3-[2,4-bis[4-(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-6-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=C1C4=C(C=C3)C5=CC=CC=C5N4C6=CC=C(C=C6)C7=NC(=NC(=N7)C8=CC(=CC=C8)N9C1=CC=CC=C1C1=C9C2=C(C=C1)C1=CC=CC=C1C2(C)C)C1=CC=C(C=C1)N1C2=CC=CC=C2C2=C1C1=C(C=C2)C2=CC=CC=C2C1(C)C)C

DOS

IR

Vibrations