Geometry & MOs

Info

ID:	131080
PubChem CID:	51152915
Reduced:	FNO2H7C8 (2)
Stoich.:	ABC2D7E8 (2)
Weight, g/mol:	334.142976
ΔH_f, kcal/mol:	-215.07
Dipole, Da:	6.0
IP(EA), eV:	-9.35(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-carbamoylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC(F)F)C(=O)NC2=CC=CC(=C2)C(=O)N

DOS

IR

Vibrations