Geometry & MOs

Info

ID:	151798
PubChem CID:	56310604
Reduced:	N3O4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	442.211724
ΔH_f, kcal/mol:	-134.3
Dipole, Da:	3.6
IP(EA), eV:	-8.76(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)NC3=CC(=CC=C3)OC

DOS

IR

Vibrations