Geometry & MOs

Info

ID:	241725
PubChem CID:	96024108
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-94.45
Dipole, Da:	5.71
IP(EA), eV:	-9.14(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations