Geometry & MOs

Info

ID:	172278
PubChem CID:	75488352
Reduced:	FO2H13C15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	297.061278
ΔH_f, kcal/mol:	-94.81
Dipole, Da:	2.99
IP(EA), eV:	-9.57(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)C2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations