Geometry & MOs

Info

ID:	194475
PubChem CID:	78542041
Reduced:	ClN2O4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	400.153541
ΔH_f, kcal/mol:	-129.98
Dipole, Da:	7.54
IP(EA), eV:	-8.4(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyano-4-imino-2-oxopentyl) 3-(3-methylphenyl)-1-phenylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C=CC2=CC(=CC=C2)Cl

DOS

IR

Vibrations