Geometry & MOs

Info

ID:	151753
PubChem CID:	56310479
Reduced:	ON4C23H26 (1)
Stoich.:	AB4C23D26 (1)
Weight, g/mol:	422.231791
ΔH_f, kcal/mol:	41.37
Dipole, Da:	5.39
IP(EA), eV:	-8.85(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(benzylcarbamoyl)-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=CC=C(C=C3)N4C=CC=N4

DOS

IR

Vibrations