Geometry & MOs

Info

ID:	190191
PubChem CID:	77965813
Reduced:	IC19H25 (1)
Stoich.:	AB19C25 (1)
Weight, g/mol:	394.055671
ΔH_f, kcal/mol:	42.9
Dipole, Da:	2.11
IP(EA), eV:	-8.76(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-hydroxy-2-(3-pyridin-2-ylpyrazol-1-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC=CCCCCC1=CC(CC(=C1)I)C2CC=CC=C2

DOS

IR

Vibrations