Geometry & MOs

Info

ID:	241156
PubChem CID:	96021563
Reduced:	NC20H25 (1)
Stoich.:	AB20C25 (1)
Weight, g/mol:	281.141579
ΔH_f, kcal/mol:	0.63
Dipole, Da:	2.42
IP(EA), eV:	-8.56(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[C@@H](NCC2)CC3=C(C=C(C=C3C)C)C

DOS

IR

Vibrations