Geometry & MOs

Info

ID:	406942
PubChem CID:	135078959
Reduced:	BrClNO2H17C20 (1)
Stoich.:	ABCD2E17F20 (1)
Weight, g/mol:	345.03644
ΔH_f, kcal/mol:	-4.27
Dipole, Da:	7.4
IP(EA), eV:	-8.94(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-(2-bromophenyl)-3-oxopropyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C2=C(C(=C(C(=C2C(=O)O1)Br)C#CC3=CC=CC=C3)N)Cl

DOS

IR

Vibrations