Geometry & MOs

Info

ID:	241667
PubChem CID:	96023956
Reduced:	N2O2C17H18 (1)
Stoich.:	A2B2C17D18 (1)
Weight, g/mol:	281.141579
ΔH_f, kcal/mol:	-47.19
Dipole, Da:	4.83
IP(EA), eV:	-8.88(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations