Geometry & MOs

Info

ID:	139036
PubChem CID:	52463514
Reduced:	NO5H17C18 (1)
Stoich.:	AB5C17D18 (1)
Weight, g/mol:	349.227989
ΔH_f, kcal/mol:	-166.14
Dipole, Da:	5.26
IP(EA), eV:	-8.99(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]-1-phenylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC(=C(C(=O)C)C(=O)COC(=O)C1=CC2=CC=CC=C2C=C1O)N

DOS

IR

Vibrations