Geometry & MOs

Info

ID:	152063
PubChem CID:	56310914
Reduced:	ClO2N3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-50.95
Dipole, Da:	1.84
IP(EA), eV:	-8.64(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)CC(=O)NC3=NC=C(C=C3)Cl

DOS

IR

Vibrations