Geometry & MOs

Info

ID:	152552
PubChem CID:	56311508
Reduced:	Cl2O2N3C22H25 (1)
Stoich.:	A2B2C3D22E25 (1)
Weight, g/mol:	433.132382
ΔH_f, kcal/mol:	-67.55
Dipole, Da:	4.46
IP(EA), eV:	-8.87(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dichlorophenyl)-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCC(=O)NC3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations