Geometry & MOs

Info

ID:	290430
PubChem CID:	104500373
Reduced:	ClSN2O2C13H13 (1)
Stoich.:	ABC2D2E13F13 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-52.33
Dipole, Da:	6.78
IP(EA), eV:	-8.86(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-aminophenyl)-1-(4-methoxypiperidin-1-yl)butan-1-one

Drug info:

PubChemData

Smile

CC(C1=CC=C(S1)Cl)NC2=CC(=C(C=C2)C(=O)O)N

DOS

IR

Vibrations