Geometry & MOs

Info

ID:	241692
PubChem CID:	96024024
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	-126.42
Dipole, Da:	4.97
IP(EA), eV:	-9.14(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations