Geometry & MOs

Info

ID:	38724
PubChem CID:	8137822
Reduced:	N2O3C17H22 (1)
Stoich.:	A2B3C17D22 (1)
Weight, g/mol:	408.135304
ΔH_f, kcal/mol:	-107.56
Dipole, Da:	4.85
IP(EA), eV:	-9.42(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)CCC(=O)NCC(=O)NC2CC2)C

DOS

IR

Vibrations