Geometry & MOs

Info

ID:	24371
PubChem CID:	609741
Reduced:	BrNO3C18H20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	377.06266
ΔH_f, kcal/mol:	-72.47
Dipole, Da:	4.12
IP(EA), eV:	-8.13(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phenol

Drug info:

PubChemData

Smile

CN1CCC2=CC(=C(C=C2C1C3=C(C=CC(=C3)Br)O)OC)OC

DOS

IR

Vibrations