Geometry & MOs

Info

ID:	194114
PubChem CID:	78484180
Reduced:	NO4C26H33 (1)
Stoich.:	AB4C26D33 (1)
Weight, g/mol:	233.165388
ΔH_f, kcal/mol:	-167.27
Dipole, Da:	0.99
IP(EA), eV:	-8.57(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(3-methylphenyl)methyl]piperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC=C(C=C3)OC4CCCC4

DOS

IR

Vibrations