Geometry & MOs

Info

ID:	23268
PubChem CID:	602959
Reduced:	BrNOH7C8 (2)
Stoich.:	ABCD7E8 (2)
Weight, g/mol:	425.94015
ΔH_f, kcal/mol:	-33.1
Dipole, Da:	2.69
IP(EA), eV:	-9.8(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[2-[(3-bromobenzoyl)amino]ethyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C(=O)NCCNC(=O)C2=CC(=CC=C2)Br

DOS

IR

Vibrations