Geometry & MOs

Info

ID:	23787
PubChem CID:	606093
Reduced:	BrNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	347.05209
ΔH_f, kcal/mol:	-28.43
Dipole, Da:	3.42
IP(EA), eV:	-8.34(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

COC1=C(C=C2C(NCCC2=C1)C3=CC=C(C=C3)Br)OC

DOS

IR

Vibrations