Geometry & MOs

Info

ID:	28871
PubChem CID:	830170
Reduced:	NOH7C10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	318.184447
ΔH_f, kcal/mol:	77.7
Dipole, Da:	8.09
IP(EA), eV:	-9.28(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopentylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C3=CC=CC=C3C=C2)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations