Geometry & MOs

Info

ID:	152634
PubChem CID:	56311638
Reduced:	ClO2N5C25H28 (1)
Stoich.:	AB2C5D25E28 (1)
Weight, g/mol:	431.232125
ΔH_f, kcal/mol:	-11.25
Dipole, Da:	1.54
IP(EA), eV:	-8.89(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-benzylpyrazol-3-yl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC=NN3CC4=CC=CC=C4Cl

DOS

IR

Vibrations