Geometry & MOs

Info

ID:	15455
PubChem CID:	442237
Reduced:	NO3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	237.136493
ΔH_f, kcal/mol:	-105.3
Dipole, Da:	2.96
IP(EA), eV:	-8.54(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinolin-5-ol

Drug info:

PubChemData

Smile

C[C@H]1C2=CC(=C(C(=C2CCN1C)O)OC)OC

DOS

IR

Vibrations