Geometry & MOs

Info

ID:	435949
PubChem CID:	135192944
Reduced:	N3H13C19 (1)
Stoich.:	A3B13C19 (1)
Weight, g/mol:	666.253195
ΔH_f, kcal/mol:	113.51
Dipole, Da:	2.21
IP(EA), eV:	-8.17(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3N4C5=CC=CC=C5NC4=N2

DOS

IR

Vibrations