Geometry & MOs

Info

ID:	331636
PubChem CID:	127249719
Reduced:	FO3N5C21H26 (1)
Stoich.:	AB3C5D21E26 (1)
Weight, g/mol:	425.166331
ΔH_f, kcal/mol:	-104.85
Dipole, Da:	2.56
IP(EA), eV:	-8.74(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluorophenyl)-2-[2-[6-[(5-fluoropyridin-2-yl)amino]pyridin-2-yl]morpholin-4-yl]acetamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CCN2CCOC(C2)C3=NC(=CC=C3)NC4=NC=C(C=C4)F

DOS

IR

Vibrations