Geometry & MOs

Info

ID:	241992
PubChem CID:	96024974
Reduced:	NO2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	295.157229
ΔH_f, kcal/mol:	-42.68
Dipole, Da:	1.36
IP(EA), eV:	-8.7(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2[C@@H]3COC4=CC=CC=C4O3)C=C1)C

DOS

IR

Vibrations