Geometry & MOs

Info

ID:	241936
PubChem CID:	96024707
Reduced:	NC20H31 (1)
Stoich.:	AB20C31 (1)
Weight, g/mol:	285.24565
ΔH_f, kcal/mol:	-29.89
Dipole, Da:	2.0
IP(EA), eV:	-8.63(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6,7-dimethyl-1-(4-propan-2-ylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2C3CCC(CC3)C(C)C)C=C1)C

DOS

IR

Vibrations