Geometry & MOs

Info

ID:	25019
PubChem CID:	616678
Reduced:	N4H16C17 (1)
Stoich.:	A4B16C17 (1)
Weight, g/mol:	276.137497
ΔH_f, kcal/mol:	103.02
Dipole, Da:	10.66
IP(EA), eV:	-8.52(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dimethyl-1-(prop-2-enylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N3C(=CC(=C(C3=N2)C#N)C)NCC=C

DOS

IR

Vibrations