Geometry & MOs

Info

ID:	152840
PubChem CID:	56311917
Reduced:	SO2N4C25H30 (1)
Stoich.:	AB2C4D25E30 (1)
Weight, g/mol:	445.247775
ΔH_f, kcal/mol:	-42.7
Dipole, Da:	4.43
IP(EA), eV:	-8.51(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

DOS

IR

Vibrations