Geometry & MOs

Info

ID:	89411
PubChem CID:	49961516
Reduced:	ON2C18H20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	391.9558
ΔH_f, kcal/mol:	8.49
Dipole, Da:	4.11
IP(EA), eV:	-9.17(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,4-diazepan-1-yl)-2-(2,4-dibromophenoxy)ethanone

Drug info:

PubChemData

Smile

C1CNCCN(C1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations