Geometry & MOs

Info

ID:	241974
PubChem CID:	96024876
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-179.34
Dipole, Da:	5.58
IP(EA), eV:	-9.07(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-[(1S)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-2,3-dihydroxypropanoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)[C@H]([C@@H](C(=O)O)O)O

DOS

IR

Vibrations