Geometry & MOs

Info

ID:	384373
PubChem CID:	134976868
Reduced:	ClN2O4C7H15 (1)
Stoich.:	AB2C4D7E15 (1)
Weight, g/mol:	329.9714
ΔH_f, kcal/mol:	40.29
Dipole, Da:	5.96
IP(EA), eV:	-9.27(-4.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-3-(2-methylsulfanylphenyl)cycloprop-2-en-1-one

Drug info:

PubChemData

Smile

CN(C)C1C(C1OCl(=O)(=O)=O)N(C)C

DOS

IR

Vibrations