Geometry & MOs

Info

ID:	241708
PubChem CID:	96024054
Reduced:	NOC19H23 (1)
Stoich.:	ABC19D23 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-21.73
Dipole, Da:	3.79
IP(EA), eV:	-8.59(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)CC3=CC(=CC=C3)OC

DOS

IR

Vibrations