Geometry & MOs

Info

ID:	241728
PubChem CID:	96024113
Reduced:	NO2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	295.157229
ΔH_f, kcal/mol:	-47.06
Dipole, Da:	3.89
IP(EA), eV:	-8.58(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)/C=C/C3=CC(=C(C=C3)O)O

DOS

IR

Vibrations