Geometry & MOs

Info

ID:	194636
PubChem CID:	78566764
Reduced:	FOSN6C20H21 (1)
Stoich.:	ABCD6E20F21 (1)
Weight, g/mol:	378.137971
ΔH_f, kcal/mol:	32.76
Dipole, Da:	6.78
IP(EA), eV:	-9.14(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-fluorophenyl)-2-oxoethyl] 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(=NNC1=NC(=NN1)SCC(=O)NCCC2=CC=CC=C2)C3=CC=C(C=C3)F

DOS

IR

Vibrations