Geometry & MOs

Info

ID:	282665
PubChem CID:	103935319
Reduced:	NO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	204.089878
ΔH_f, kcal/mol:	-106.49
Dipole, Da:	3.0
IP(EA), eV:	-8.8(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-hydroxypropyl]cinnolin-4-one

Drug info:

PubChemData

Smile

C[C@H](CN1C(=O)COC2=CC=CC=C21)O

DOS

IR

Vibrations