Geometry & MOs

Info

ID:	178360
PubChem CID:	76315665
Reduced:	NF2O4C24H25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	412.032295
ΔH_f, kcal/mol:	-174.32
Dipole, Da:	8.88
IP(EA), eV:	-8.91(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[4-cyano-2-(2,4-dinitrophenyl)pyrazol-3-yl]benzamide

Drug info:

PubChemData

Smile

CN1CCC(=CC1)C2=C(C=C(C(=C2OC)/C=C/C(=O)C3=CC(=C(C=C3)F)F)OC)OC

DOS

IR

Vibrations