Geometry & MOs

Info

ID:	241691
PubChem CID:	96024019
Reduced:	NO2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	-98.02
Dipole, Da:	3.23
IP(EA), eV:	-8.78(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2C3CCC(CC3)C(=O)O)C=C1)C

DOS

IR

Vibrations