Geometry & MOs

Info

ID:	289480
PubChem CID:	104357445
Reduced:	BrClNOH15C16 (1)
Stoich.:	ABCDE15F16 (1)
Weight, g/mol:	404.90896
ΔH_f, kcal/mol:	-12.04
Dipole, Da:	3.32
IP(EA), eV:	-8.71(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]benzamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)NC(=O)C2=C(C(=CC=C2)Br)Cl

DOS

IR

Vibrations