Geometry & MOs

Info

ID:	371690
PubChem CID:	131270528
Reduced:	ClNO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	232.045962
ΔH_f, kcal/mol:	-46.48
Dipole, Da:	4.96
IP(EA), eV:	-9.52(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(hydroxymethyl)-5-methyl-6-(trifluoromethoxy)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C(C#N)O)OC)Cl

DOS

IR

Vibrations