Geometry & MOs

Info

ID:	241963
PubChem CID:	96024827
Reduced:	NC17H23 (1)
Stoich.:	AB17C23 (1)
Weight, g/mol:	241.18305
ΔH_f, kcal/mol:	4.14
Dipole, Da:	1.5
IP(EA), eV:	-8.84(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(1S)-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