Geometry & MOs

Info

ID:	387780
PubChem CID:	134986906
Reduced:	SN2O2C12H12 (1)
Stoich.:	AB2C2D12E12 (1)
Weight, g/mol:	239.069477
ΔH_f, kcal/mol:	-23.38
Dipole, Da:	2.84
IP(EA), eV:	-8.65(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-phenylpyrido[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2C(N1S(=O)(=O)C)C#N

DOS

IR

Vibrations