Geometry & MOs

Info

ID:	210121
PubChem CID:	80766276
Reduced:	FON4C9H15 (1)
Stoich.:	ABC4D9E15 (1)
Weight, g/mol:	270.122909
ΔH_f, kcal/mol:	-54.86
Dipole, Da:	3.71
IP(EA), eV:	-8.61(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one

Drug info:

PubChemData

Smile

CCNC1=NC=C(C(=N1)NCCOC)F

DOS

IR

Vibrations