Geometry & MOs

Info

ID:	373156
PubChem CID:	131310826
Reduced:	NF2H4C5 (2)
Stoich.:	AB2C4D5 (2)
Weight, g/mol:	204.078644
ΔH_f, kcal/mol:	-144.26
Dipole, Da:	4.81
IP(EA), eV:	-10.25(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-3-[(2-hydroxyphenyl)methylidene]pent-4-en-2-one

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C(F)F)F)F)[C@H](CC#N)N

DOS

IR

Vibrations