Geometry & MOs

Info

ID:

377344

PubChem CID:

134223392

Reduced:

ON2H34C51 (1)

Stoich.:

AB2C34D51 (1)

Weight, g/mol:

664.215078

ΔHf, kcal/mol:

175.28

Dipole, Da:

1.3

IP(EA), eV:

 -7.98(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-phenyl-17-(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-nonaen-18-yl)-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

CC1(C2=CC=CC=C2C3=C1C4=C(C=C3)N(C5=C4C=C(C=C5)C6=CC7=C(C=C6)C8=C(N7C9=CC=CC=C9)C=CC1=C8OC2=CC=CC=C12)C1=CC=CC=C1)C

DOS

IR

Vibrations