Geometry & MOs

Info

ID:	207502
PubChem CID:	80405097
Reduced:	BrClON3H13C15 (1)
Stoich.:	ABCD3E13F15 (1)
Weight, g/mol:	366.97232
ΔH_f, kcal/mol:	21.63
Dipole, Da:	3.1
IP(EA), eV:	-9.34(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[2-chloro-5-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CCCN1C=C(C=C1C(=O)NC2=C(C=CC(=C2)C#N)Cl)Br

DOS

IR

Vibrations