Geometry & MOs

Info

ID:	152825
PubChem CID:	56311901
Reduced:	N3O3C25H33 (1)
Stoich.:	A3B3C25D33 (1)
Weight, g/mol:	422.231791
ΔH_f, kcal/mol:	-103.11
Dipole, Da:	6.16
IP(EA), eV:	-8.66(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NCCC3=CC=C(C=C3)OC

DOS

IR

Vibrations