Geometry & MOs

Info

ID:	152030
PubChem CID:	56310879
Reduced:	FO3N4C24H29 (1)
Stoich.:	AB3C4D24E29 (1)
Weight, g/mol:	422.231791
ΔH_f, kcal/mol:	-137.36
Dipole, Da:	6.76
IP(EA), eV:	-9.12(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N(CCC(=O)N)C3=CC=C(C=C3)F

DOS

IR

Vibrations