Geometry & MOs

Info

ID:	214210
PubChem CID:	84974642
Reduced:	SN4O5C18H26 (1)
Stoich.:	AB4C5D18E26 (1)
Weight, g/mol:	379.225977
ΔH_f, kcal/mol:	-117.71
Dipole, Da:	9.96
IP(EA), eV:	-9.54(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC(C1CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

DOS

IR

Vibrations