Geometry & MOs

Info

ID:	241690
PubChem CID:	96024016
Reduced:	NO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	287.188529
ΔH_f, kcal/mol:	-44.09
Dipole, Da:	2.6
IP(EA), eV:	-9.05(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2C3=C(C=CC(=C3)C=O)O)C=C1)C

DOS

IR

Vibrations