Geometry & MOs

Info

ID:	242047
PubChem CID:	96025230
Reduced:	NO2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	295.157229
ΔH_f, kcal/mol:	-45.47
Dipole, Da:	3.03
IP(EA), eV:	-8.44(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)CC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations