Geometry & MOs

Info

ID:	268329
PubChem CID:	103598948
Reduced:	NOF2H8C9 (2)
Stoich.:	ABC2D8E9 (2)
Weight, g/mol:	360.125612
ΔH_f, kcal/mol:	-219.66
Dipole, Da:	5.46
IP(EA), eV:	-8.9(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylpyrazol-3-yl)-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC(=O)NC2=CC=CC=C2NCC(F)(F)F)F

DOS

IR

Vibrations