Geometry & MOs

Info

ID:	241918
PubChem CID:	96024616
Reduced:	NOC17H25 (1)
Stoich.:	ABC17D25 (1)
Weight, g/mol:	291.1987
ΔH_f, kcal/mol:	-59.52
Dipole, Da:	3.68
IP(EA), eV:	-8.83(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-7,8-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)CC3CCOCC3

DOS

IR

Vibrations