Geometry & MOs

Info

ID:	297355
PubChem CID:	117615791
Reduced:	BrOH7C9 (1)
Stoich.:	ABC7D9 (1)
Weight, g/mol:	303.168188
ΔH_f, kcal/mol:	1.06
Dipole, Da:	1.99
IP(EA), eV:	-9.2(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[(6-hydroxy-3-oxohexyl)amino]butanedioate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1Br)OC=C2

DOS

IR

Vibrations