Geometry & MOs

Info

ID:	384930
PubChem CID:	134977980
Reduced:	BNOF4H20C22 (1)
Stoich.:	ABCD4E20F22 (1)
Weight, g/mol:	250.09938
ΔH_f, kcal/mol:	-221.48
Dipole, Da:	19.45
IP(EA), eV:	-8.75(-3.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[hydroxy(phenyl)methyl]-3-(4-methylphenyl)cycloprop-2-en-1-one

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.COC1=CC=C(C=C1)NC2C([C+]2C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations