Geometry & MOs

Info

ID:	241962
PubChem CID:	96024826
Reduced:	NC17H23 (1)
Stoich.:	AB17C23 (1)
Weight, g/mol:	241.18305
ΔH_f, kcal/mol:	8.04
Dipole, Da:	1.8
IP(EA), eV:	-8.55(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(1R)-cyclohex-3-en-1-yl]-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2[C@@H]3CCC=CC3)C=C1)C

DOS

IR

Vibrations