Geometry & MOs

Info

ID:	36479
PubChem CID:	8007363
Reduced:	N2O4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	330.151433
ΔH_f, kcal/mol:	-114.88
Dipole, Da:	1.19
IP(EA), eV:	-9.1(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[(2-prop-2-enylsulfanylbenzimidazol-1-yl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)OCC(=O)NC2(CCCC2)C#N)OC

DOS

IR

Vibrations