Geometry & MOs

Info

ID:	300431
PubChem CID:	121280960
Reduced:	FOC11H11 (1)
Stoich.:	ABC11D11 (1)
Weight, g/mol:	465.063395
ΔH_f, kcal/mol:	-32.41
Dipole, Da:	1.09
IP(EA), eV:	-9.79(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(6-chloropyridin-2-yl)-(4-fluoro-1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2(C1)C(O2)C3=CC(=CC=C3)F

DOS

IR

Vibrations