Geometry & MOs

Info

ID:	241724
PubChem CID:	96024105
Reduced:	NOC20H23 (1)
Stoich.:	ABC20D23 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-2.43
Dipole, Da:	3.22
IP(EA), eV:	-8.63(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations