Geometry & MOs

Info

ID:	242046
PubChem CID:	96025227
Reduced:	NC21H27 (1)
Stoich.:	AB21C27 (1)
Weight, g/mol:	295.157229
ΔH_f, kcal/mol:	-6.1
Dipole, Da:	1.65
IP(EA), eV:	-8.54(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C[C@H]2C3=C(CCN2)C=C(C(=C3)C)C)C

DOS

IR

Vibrations