Geometry & MOs

Info

ID:	152824
PubChem CID:	56311900
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	423.252192
ΔH_f, kcal/mol:	-95.88
Dipole, Da:	5.28
IP(EA), eV:	-8.51(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methoxyphenyl)ethyl]-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)C(C)N2CCN(CC2)C(=O)CC3=CC=CC=C3C

DOS

IR

Vibrations