Geometry & MOs

Info

ID:	371692
PubChem CID:	131270539
Reduced:	N2O2F3H7C9 (1)
Stoich.:	A2B2C3D7E9 (1)
Weight, g/mol:	232.045962
ΔH_f, kcal/mol:	-186.48
Dipole, Da:	5.97
IP(EA), eV:	-10.34(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(hydroxymethyl)-6-methyl-3-(trifluoromethoxy)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1CO)OC(F)(F)F)C#N

DOS

IR

Vibrations