Geometry & MOs

Info

ID:	175304
PubChem CID:	75880961
Reduced:	OSN2C21H26 (1)
Stoich.:	ABC2D21E26 (1)
Weight, g/mol:	442.22613
ΔH_f, kcal/mol:	4.86
Dipole, Da:	2.34
IP(EA), eV:	-8.37(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-acetamido-3-(4-chlorophenyl)-N-[[2-[(2-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CC1CCCCN1CC2=CC=CC=C2CNC(=O)C=CC3=CSC=C3

DOS

IR

Vibrations