Geometry & MOs

Info

ID:	45667
PubChem CID:	10516252
Reduced:	BrOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	250.10659
ΔH_f, kcal/mol:	-45.11
Dipole, Da:	2.19
IP(EA), eV:	-8.84(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-1-yl)pentanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCCCCCCCBr

DOS

IR

Vibrations