Geometry & MOs

Info

ID:	241860
PubChem CID:	96024412
Reduced:	NC20H33 (1)
Stoich.:	AB20C33 (1)
Weight, g/mol:	287.188529
ΔH_f, kcal/mol:	-48.77
Dipole, Da:	2.18
IP(EA), eV:	-8.71(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations