Geometry & MOs

Info

ID:	343111
PubChem CID:	127266284
Reduced:	NC4H6 (4)
Stoich.:	AB4C6 (4)
Weight, g/mol:	283.079076
ΔH_f, kcal/mol:	41.77
Dipole, Da:	3.12
IP(EA), eV:	-8.96(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-4-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanesulfonamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)CNCC2=CN(N=C2C(C)(C)C)C

DOS

IR

Vibrations