Geometry & MOs

Info

ID:	297128
PubChem CID:	117609890
Reduced:	O3N6C26H28 (1)
Stoich.:	A3B6C26D28 (1)
Weight, g/mol:	482.212947
ΔH_f, kcal/mol:	-21.41
Dipole, Da:	6.22
IP(EA), eV:	-9.05(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxopyridin-4-yl)phenyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)NC(=O)C2=CC(=NC=C2)C(C)(C)C#N)C3=CC(=O)N(C(=C3)N4CCOCC4)C

DOS

IR

Vibrations