Geometry & MOs

Info

ID:	333171
PubChem CID:	127251719
Reduced:	ON3C11H11 (2)
Stoich.:	AB3C11D11 (2)
Weight, g/mol:	397.155018
ΔH_f, kcal/mol:	21.1
Dipole, Da:	2.32
IP(EA), eV:	-8.28(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)morpholin-4-yl]-2-(4-fluorophenoxy)ethanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CCC2=CNC3=CC=CC=C32)C4=NC5=NC=NC(=C5C=C4)N

DOS

IR

Vibrations