Geometry & MOs

Info

ID:	291475
PubChem CID:	112685544
Reduced:	FNO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	281.073118
ΔH_f, kcal/mol:	-124.17
Dipole, Da:	1.28
IP(EA), eV:	-8.74(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C(C)OC)F

DOS

IR

Vibrations