Geometry & MOs

Info

ID:	31183
PubChem CID:	855044
Reduced:	N2C11H13 (2)
Stoich.:	A2B11C13 (2)
Weight, g/mol:	346.215747
ΔH_f, kcal/mol:	67.2
Dipole, Da:	10.29
IP(EA), eV:	-8.56(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4C[C@H](C[C@@H](C4)C)C)C#N

DOS

IR

Vibrations