Geometry & MOs

Info

ID:	293008
PubChem CID:	117369853
Reduced:	NO4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	247.084458
ΔH_f, kcal/mol:	-133.43
Dipole, Da:	2.61
IP(EA), eV:	-9.12(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-2-(1-methoxyisoquinolin-6-yl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C1=CC2=C(CC(=O)N2C)C=C1

DOS

IR

Vibrations