Geometry & MOs

Info

ID:	193326
PubChem CID:	78375937
Reduced:	SN2O4C18H18 (1)
Stoich.:	AB2C4D18E18 (1)
Weight, g/mol:	252.089878
ΔH_f, kcal/mol:	-64.78
Dipole, Da:	6.44
IP(EA), eV:	-8.72(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-hydroxyphenyl)methyl]-3H-quinoxalin-2-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN2C(=O)C3C=C(C(=CC3=NC2=S)OC)OC

DOS

IR

Vibrations