Geometry & MOs

Info

ID:	404568
PubChem CID:	135066848
Reduced:	NO4C19H19 (1)
Stoich.:	AB4C19D19 (1)
Weight, g/mol:	343.082013
ΔH_f, kcal/mol:	-60.7
Dipole, Da:	4.99
IP(EA), eV:	-9.02(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-pyridin-2-yl-4-(trifluoromethyl)phenyl] benzoate

Drug info:

PubChemData

Smile

C/C(=N\OC)/C1=CC=CC=C1OC(=O)/C=C/C2=CC=C(C=C2)OC

DOS

IR

Vibrations