Geometry & MOs

Info

ID:	241712
PubChem CID:	96024060
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-97.12
Dipole, Da:	7.6
IP(EA), eV:	-9.16(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations