Geometry & MOs

Info

ID:	175716
PubChem CID:	75941066
Reduced:	N2O3C24H28 (1)
Stoich.:	A2B3C24D28 (1)
Weight, g/mol:	403.07831
ΔH_f, kcal/mol:	-102.59
Dipole, Da:	4.84
IP(EA), eV:	-8.83(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenoxy)-1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CCOC1=CC2=C(CCN(C2)C(=O)C3CC(=O)N(C3)C4=CC=CC(=C4C)C)C=C1

DOS

IR

Vibrations