Geometry & MOs

Info

ID:	34079
PubChem CID:	7889735
Reduced:	N2O3H16C17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	392.059561
ΔH_f, kcal/mol:	-65.39
Dipole, Da:	5.28
IP(EA), eV:	-8.74(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] pyridine-4-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=NC=C3

DOS

IR

Vibrations