Geometry & MOs

Info

ID:	241905
PubChem CID:	96024552
Reduced:	ON3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	267.162314
ΔH_f, kcal/mol:	32.34
Dipole, Da:	3.42
IP(EA), eV:	-9.09(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-2-methylphenol

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2C3=NC=C([N+](=C3)[O-])C)C=C1)C

DOS

IR

Vibrations