Geometry & MOs

Info

ID:	242083
PubChem CID:	96025631
Reduced:	ClNC18H20 (1)
Stoich.:	ABC18D20 (1)
Weight, g/mol:	287.188529
ΔH_f, kcal/mol:	10.06
Dipole, Da:	1.67
IP(EA), eV:	-8.84(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-[(1S)-5,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C2CCN[C@H](C2=C(C=C1)C)C3=C(C(=CC=C3)Cl)C

DOS

IR

Vibrations