Geometry & MOs

Info

ID:	382560
PubChem CID:	134973798
Reduced:	O2C11H14 (1)
Stoich.:	A2B11C14 (1)
Weight, g/mol:	341.056719
ΔH_f, kcal/mol:	-52.88
Dipole, Da:	1.47
IP(EA), eV:	-9.93(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-[(2-nitrophenyl)methyl]-3-phenylpyrazin-2-one

Drug info:

PubChemData

Smile

C1CC(=O)C2C3CC(C2[C@H]1O)C=C3

DOS

IR

Vibrations