Geometry & MOs

Info

ID:	241715
PubChem CID:	96024066
Reduced:	NC20H25 (1)
Stoich.:	AB20C25 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	0.83
Dipole, Da:	1.78
IP(EA), eV:	-8.54(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1S)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]benzene-1,2,3-triol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations