Geometry & MOs

Info

ID:	341797
PubChem CID:	127264490
Reduced:	N2O3H8C9 (1)
Stoich.:	A2B3C8D9 (1)
Weight, g/mol:	278.066697
ΔH_f, kcal/mol:	-75.95
Dipole, Da:	8.39
IP(EA), eV:	-9.35(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenylmethoxy-3-(trifluoromethyl)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

COC1=C(C=CC2=C1N=CN2)C(=O)O

DOS

IR

Vibrations