Geometry & MOs

Info

ID:	199740
PubChem CID:	79290605
Reduced:	ION2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	255.100777
ΔH_f, kcal/mol:	-1.71
Dipole, Da:	3.89
IP(EA), eV:	-8.6(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-hydroxyphenyl)methyl]-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one

Drug info:

PubChemData

Smile

C1CNC2=C(C=C(C=C2)I)NC1=O

DOS

IR

Vibrations