Geometry & MOs

Info

ID:	375585
PubChem CID:	134214031
Reduced:	Cl2F3N3O3H18C20 (1)
Stoich.:	A2B3C3D3E18F20 (1)
Weight, g/mol:	469.138004
ΔH_f, kcal/mol:	-246.42
Dipole, Da:	8.43
IP(EA), eV:	-9.22(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-chloro-5-(2-hydroxyethyl)pyridin-2-yl]-N-[3-ethyl-4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC=C1C2=C(C=C(C=N2)CCO)Cl)C(=O)NC3=CC(=C(C=C3)OC(F)(F)F)Cl

DOS

IR

Vibrations