Geometry & MOs

Info

ID:	24784
PubChem CID:	613407
Reduced:	BrNO2C19H22 (1)
Stoich.:	ABC2D19E22 (1)
Weight, g/mol:	375.08339
ΔH_f, kcal/mol:	-42.15
Dipole, Da:	3.9
IP(EA), eV:	-8.24(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(NCCC2=C1)C3=CC=C(C=C3)Br)OCC

DOS

IR

Vibrations