Geometry & MOs

Info

ID:	241711
PubChem CID:	96024057
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-88.67
Dipole, Da:	5.05
IP(EA), eV:	-8.97(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations