Geometry & MOs

Info

ID:	384921
PubChem CID:	134977965
Reduced:	NSO4H21C28 (1)
Stoich.:	ABC4D21E28 (1)
Weight, g/mol:	313.99424
ΔH_f, kcal/mol:	-30.96
Dipole, Da:	6.14
IP(EA), eV:	-8.22(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromophenyl)-hydroxymethyl]-3-phenylcycloprop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC=CN3C(=C2C4=CC=CC=C4)C5=CC=CC=C5)C=O

DOS

IR

Vibrations