Geometry & MOs

Info

ID:	242073
PubChem CID:	96025426
Reduced:	NOC19H21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	0.86
Dipole, Da:	0.72
IP(EA), eV:	-8.59(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2CCN[C@@H](C2=C(C=C1)C)/C=C/C3=CC=CC=C3O

DOS

IR

Vibrations