Geometry & MOs

Info

ID:	241971
PubChem CID:	96024854
Reduced:	ON2C15H20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-43.52
Dipole, Da:	3.72
IP(EA), eV:	-8.96(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2[C@@H]3CCC(=O)N3)C=C1)C

DOS

IR

Vibrations