Geometry & MOs

Info

ID:	398243
PubChem CID:	135032453
Reduced:	NO6H11C14 (1)
Stoich.:	AB6C11D14 (1)
Weight, g/mol:	309.097663
ΔH_f, kcal/mol:	-207.03
Dipole, Da:	3.94
IP(EA), eV:	-9.99(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)C=C(C(=C2C(=O)O)C(=O)O)O

DOS

IR

Vibrations