Geometry & MOs

Info

ID:	16092
PubChem CID:	459777
Reduced:	NO3H13C16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	267.089543
ΔH_f, kcal/mol:	-54.95
Dipole, Da:	4.13
IP(EA), eV:	-8.44(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-2-(4-methoxyphenyl)isoquinolin-3-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)C=C3C=CC=CC3=C2O

DOS

IR

Vibrations