Geometry & MOs

Info

ID:	327217
PubChem CID:	126689246
Reduced:	N3O4C14H19 (1)
Stoich.:	A3B4C14D19 (1)
Weight, g/mol:	470.192961
ΔH_f, kcal/mol:	-86.72
Dipole, Da:	9.29
IP(EA), eV:	-8.86(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-but-3-enyl-5-(1-methyl-2-oxopiperidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CN1CCC(C1=O)C2=CC(=C(C=C2)NCCCO)[N+](=O)[O-]

DOS

IR

Vibrations