Geometry & MOs

Info

ID:	152254
PubChem CID:	56311147
Reduced:	O2N3Cl4C21H21 (1)
Stoich.:	A2B3C4D21E21 (1)
Weight, g/mol:	452.172752
ΔH_f, kcal/mol:	-75.0
Dipole, Da:	1.65
IP(EA), eV:	-9.28(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations