Geometry & MOs

Info

ID:	332381
PubChem CID:	127250667
Reduced:	O4N5C23H29 (1)
Stoich.:	A4B5C23D29 (1)
Weight, g/mol:	449.186318
ΔH_f, kcal/mol:	-102.44
Dipole, Da:	3.47
IP(EA), eV:	-9.11(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-[4-[2-(2-fluoroanilino)-2-oxoethyl]morpholin-2-yl]pyridin-2-yl]-N-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=NC=C(C=C1)C2=NC(=CC=C2)C3CN(CCO3)CCC(=O)N4CCOCC4

DOS

IR

Vibrations