Geometry & MOs

Info

ID:	23814
PubChem CID:	606152
Reduced:	NO4C18H19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	313.131408
ΔH_f, kcal/mol:	-114.77
Dipole, Da:	8.32
IP(EA), eV:	-8.5(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)benzoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2C(NCCC2=C1)C3=CC=C(C=C3)C(=O)O)OC

DOS

IR

Vibrations