Geometry & MOs

Info

ID:	244632
PubChem CID:	99368601
Reduced:	SO3N4C22H28 (1)
Stoich.:	AB3C4D22E28 (1)
Weight, g/mol:	408.241293
ΔH_f, kcal/mol:	-74.11
Dipole, Da:	8.28
IP(EA), eV:	-8.9(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(4-propanoylphenoxy)acetamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CC=CC(=C2)CNC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3

DOS

IR

Vibrations