Geometry & MOs

Info

ID:	241668
PubChem CID:	96023959
Reduced:	NO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	281.141579
ΔH_f, kcal/mol:	-52.91
Dipole, Da:	5.97
IP(EA), eV:	-8.86(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2C3=CC=CC=C3C(=O)O)C=C1)C

DOS

IR

Vibrations