Geometry & MOs

Info

ID:	325343
PubChem CID:	126682841
Reduced:	N5H25C39 (1)
Stoich.:	A5B25C39 (1)
Weight, g/mol:	294.115698
ΔH_f, kcal/mol:	216.81
Dipole, Da:	1.22
IP(EA), eV:	-8.18(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-phenyl-8,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2C4=CC=CC(=C4)C5=CC6=C7C(=C5)C=CC=C7N(C8=NC=NC=C68)C9=CC=CC=C9

DOS

IR

Vibrations