Geometry & MOs

Info

ID:	57702
PubChem CID:	24262997
Reduced:	ClNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	293.126323
ΔH_f, kcal/mol:	-130.86
Dipole, Da:	5.97
IP(EA), eV:	-9.27(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-acetyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=O)NCCCC(=O)O)Cl

DOS

IR

Vibrations