Geometry & MOs

Info

ID:	44012
PubChem CID:	10322898
Reduced:	N2F3O5C24H27 (1)
Stoich.:	A2B3C5D24E27 (1)
Weight, g/mol:	480.157288
ΔH_f, kcal/mol:	-348.84
Dipole, Da:	7.43
IP(EA), eV:	-9.23(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4-methyl-2-[(E)-3-phenylprop-2-enoyl]cyclopenta-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(C)(C(=O)O)OC1=CC=CC(=C1)C2CCCN(C2)C(=O)NCC3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations