Geometry & MOs

Info

ID:	241972
PubChem CID:	96024861
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-89.87
Dipole, Da:	3.49
IP(EA), eV:	-8.88(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations