Geometry & MOs

Info

ID:	241119
PubChem CID:	96021279
Reduced:	NOC20H25 (1)
Stoich.:	ABC20D25 (1)
Weight, g/mol:	281.177964
ΔH_f, kcal/mol:	-21.58
Dipole, Da:	2.72
IP(EA), eV:	-8.6(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(2,3-dimethylphenoxy)methyl]-8-methyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)OC[C@H]2C3=C(CCN2)C=C(C=C3)C

DOS

IR

Vibrations