Geometry & MOs

Info

ID:	127273
PubChem CID:	50996833
Reduced:	ON4C22H34 (1)
Stoich.:	AB4C22D34 (1)
Weight, g/mol:	398.304562
ΔH_f, kcal/mol:	-48.36
Dipole, Da:	6.3
IP(EA), eV:	-8.13(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-1-(5,6-dimethyl-1-pentylbenzimidazol-2-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1CCN(CC1)C2=NC3=C(N2C(C)C)C=C(C(=C3)C)C

DOS

IR

Vibrations