Geometry & MOs

Info

ID:	151813
PubChem CID:	56310623
Reduced:	N3O4C26H31 (1)
Stoich.:	A3B4C26D31 (1)
Weight, g/mol:	439.247107
ΔH_f, kcal/mol:	-134.29
Dipole, Da:	1.57
IP(EA), eV:	-8.37(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)OC5(O4)CCCC5

DOS

IR

Vibrations