Geometry & MOs

Info

ID:	407339
PubChem CID:	135079886
Reduced:	NOPF3H17C21 (1)
Stoich.:	ABCD3E17F21 (1)
Weight, g/mol:	226.039672
ΔH_f, kcal/mol:	-159.27
Dipole, Da:	2.48
IP(EA), eV:	-9.82(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-4-(4-chlorophenyl)-2-hydroxybut-3-enoate

Drug info:

PubChemData

Smile

C/C(=N\P(=O)(C1=CC=CC=C1)C2=CC=CC=C2)/C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations