Geometry & MOs

Info

ID:	166931
PubChem CID:	74756917
Reduced:	N2O3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	292.166117
ΔH_f, kcal/mol:	-98.42
Dipole, Da:	5.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.766530
Charge, e:	1

Chem-info

IUPAC name:

N-(2-methyl-3-nitrophenyl)-2-(2-methylpiperidin-1-ium-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1CCCC[NH+]1CC(=O)NC2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations