Geometry & MOs

Info

ID:	45750
PubChem CID:	10517284
Reduced:	ClNOH16C17 (1)
Stoich.:	ABCD16E17 (1)
Weight, g/mol:	286.04639
ΔH_f, kcal/mol:	-2.52
Dipole, Da:	3.24
IP(EA), eV:	-8.13(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,7,9,11,14-hexazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-5,6,12,13-tetracarbonitrile

Drug info:

PubChemData

Smile

CCC1=CC2=C(N1CC3=CC(=CC=C3)Cl)C=CC=C2O

DOS

IR

Vibrations