Geometry & MOs

Info

ID:	89412
PubChem CID:	49961518
Reduced:	Br2N2O2C13H16 (1)
Stoich.:	A2B2C2D13E16 (1)
Weight, g/mol:	296.129156
ΔH_f, kcal/mol:	-48.03
Dipole, Da:	4.18
IP(EA), eV:	-9.26(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-3,5-dimethylphenoxy)-1-(1,4-diazepan-1-yl)ethanone

Drug info:

PubChemData

Smile

C1CNCCN(C1)C(=O)COC2=C(C=C(C=C2)Br)Br

DOS

IR

Vibrations