Geometry & MOs

Info

ID:	435074
PubChem CID:	135179794
Reduced:	Cl3N3O3H10C15 (1)
Stoich.:	A3B3C3D10E15 (1)
Weight, g/mol:	298.06959
ΔH_f, kcal/mol:	-51.22
Dipole, Da:	8.58
IP(EA), eV:	-9.2(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-chloro-3-methyl-4-(2,2,2-trifluoroethylamino)-3,4-dihydropyridine-5-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1Cl)C2=NC(=O)C3=CC(=NC=C3N2)Cl)Cl)OC

DOS

IR

Vibrations