Geometry & MOs

Info

ID:	159762
PubChem CID:	57288724
Reduced:	NO2F3C22H22 (1)
Stoich.:	AB2C3D22E22 (1)
Weight, g/mol:	244.109944
ΔH_f, kcal/mol:	-191.21
Dipole, Da:	3.28
IP(EA), eV:	-9.61(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylidene-3-(oxiran-2-ylmethyl)-5-phenylpent-4-enoic acid

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=CC=C1C(F)(F)F)C2C(=N)CC(C2=O)CC3=CC=CC=C3

DOS

IR

Vibrations