Geometry & MOs

Info

ID:	138580
PubChem CID:	52388453
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	382.213067
ΔH_f, kcal/mol:	-93.14
Dipole, Da:	1.79
IP(EA), eV:	-8.05(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-methoxy-5-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]phenyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1CC(=O)NC2=CC(=C(C=C2)OC)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations