Geometry & MOs

Info

ID:	241883
PubChem CID:	96024494
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	231.162314
ΔH_f, kcal/mol:	-45.5
Dipole, Da:	1.87
IP(EA), eV:	-8.76(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations