Geometry & MOs

Info

ID:	140060
PubChem CID:	52638756
Reduced:	OSN2F3C18H23 (1)
Stoich.:	ABC2D3E18F23 (1)
Weight, g/mol:	381.166411
ΔH_f, kcal/mol:	-193.82
Dipole, Da:	2.59
IP(EA), eV:	-9.1(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl 2-[3,5-dimethyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazol-4-yl]acetate

Drug info:

PubChemData

Smile

CC(C)CN(CC(F)(F)F)C(=O)CCCCC1=NC2=CC=CC=C2S1

DOS

IR

Vibrations