Geometry & MOs

Info

ID:	395751
PubChem CID:	135026454
Reduced:	BrO2H17C19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	363.215806
ΔH_f, kcal/mol:	-18.02
Dipole, Da:	1.38
IP(EA), eV:	-9.53(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(methylamino)-3-oxobutyl]-5-[[5-(methylamino)-6-oxoheptyl]amino]cyclohexa-3,5-diene-1,2-dione

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C1=CC=CC=C1/C=C(/C2=CC=CC=C2)\Br

DOS

IR

Vibrations