Geometry & MOs

Info

ID:	299816
PubChem CID:	117695719
Reduced:	O3C8H13 (2)
Stoich.:	A3B8C13 (2)
Weight, g/mol:	467.178039
ΔH_f, kcal/mol:	-289.81
Dipole, Da:	5.26
IP(EA), eV:	-10.67(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methyl]-2-(propanoylamino)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C(C)C)C(CC(=O)OCCOC(=O)C(=C)C)C(=O)O

DOS

IR

Vibrations