Geometry & MOs

Info

ID:

377604

PubChem CID:

134223666

Reduced:

ON2H19C32 (2)

Stoich.:

AB2C19D32 (2)

Weight, g/mol:

690.267114

ΔHf, kcal/mol:

251.72

Dipole, Da:

2.82

IP(EA), eV:

 -8.25(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)N5C6=C(C=C(C=C6)C7=CC8=C(C=C7)OC9=C8C=C1C2=CC=CC=C2N(C1=C9)C1=CC=CC=C1)C1=C5C=C2C(=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations