Geometry & MOs

Info

ID:	152022
PubChem CID:	56310867
Reduced:	ClON3C23H24 (1)
Stoich.:	ABC3D23E24 (1)
Weight, g/mol:	450.263091
ΔH_f, kcal/mol:	11.59
Dipole, Da:	3.64
IP(EA), eV:	-8.72(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=C4C(=C(C=C3)Cl)C=CC=N4

DOS

IR

Vibrations