Geometry & MOs

Info

ID:	163630
PubChem CID:	58106430
Reduced:	NOBr2H15C20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	436.168797
ΔH_f, kcal/mol:	32.3
Dipole, Da:	3.33
IP(EA), eV:	-9.38(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methyl-2-phenylbenzimidazol-5-yl)phenanthro[9,10-b]pyrazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=C(C=C(C=C2)Br)NC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations