Geometry & MOs

Info

ID:	145891
PubChem CID:	53608283
Reduced:	O2N4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	308.099477
ΔH_f, kcal/mol:	-12.09
Dipole, Da:	3.27
IP(EA), eV:	-9.35(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluorophenyl)-3-(3-methylbut-2-enylsulfonylmethyl)pyrazole

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)NC(=O)CN(C)C(=O)/C=C/C2=CC=CC=N2

DOS

IR

Vibrations