Geometry & MOs

Info

ID:	297126
PubChem CID:	117609857
Reduced:	IO3C5H7 (1)
Stoich.:	AB3C5D7 (1)
Weight, g/mol:	493.112852
ΔH_f, kcal/mol:	-119.62
Dipole, Da:	2.8
IP(EA), eV:	-10.68(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxopyridin-3-yl)pyridin-3-yl]-2-(trifluoromethyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C(C)(C(=O)O)I

DOS

IR

Vibrations