Geometry & MOs

Info

ID:	168253
PubChem CID:	74940596
Reduced:	ON2C20H31 (1)
Stoich.:	AB2C20D31 (1)
Weight, g/mol:	261.196688
ΔH_f, kcal/mol:	-31.41
Dipole, Da:	9.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.982370
Charge, e:	1

Chem-info

IUPAC name:

N-ethyl-4-[(3-methylpiperidin-1-ium-1-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1CCC[NH+](C1)CC2=CC=C(C=C2)C(=O)N3CCCCCC3

DOS

IR

Vibrations