Geometry & MOs

Info

ID:	437266
PubChem CID:	135220459
Reduced:	NO2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	285.058341
ΔH_f, kcal/mol:	-51.21
Dipole, Da:	6.0
IP(EA), eV:	-9.17(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-methylsulfonylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C=CC=C(C2=O)C(=O)C(C)C

DOS

IR

Vibrations