Geometry & MOs

Info

ID:	406196
PubChem CID:	135076858
Reduced:	BrNSO3C11H12 (1)
Stoich.:	ABCD3E11F12 (1)
Weight, g/mol:	269.141579
ΔH_f, kcal/mol:	-59.27
Dipole, Da:	8.05
IP(EA), eV:	-9.21(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-acetyl-4-phenylpyrrol-1-yl)-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

COC1=CCN(C1)S(=O)(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations