Geometry & MOs

Info

ID:	43806
PubChem CID:	10321815
Reduced:	N2O3F5H21C22 (1)
Stoich.:	A2B3C5D21E22 (1)
Weight, g/mol:	456.157324
ΔH_f, kcal/mol:	-289.98
Dipole, Da:	11.71
IP(EA), eV:	-8.21(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-[2-[1-[4-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]ethylamino]pyridin-3-yl]propanamide

Drug info:

PubChemData

Smile

C1C(C=C(CN1C(=O)CCN)C2=C(C=CC(=C2)F)F)C3=CC=CC=C3.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations