Geometry & MOs

Info

ID:	134601
PubChem CID:	51722008
Reduced:	ClFON4H12C17 (1)
Stoich.:	ABCD4E12F17 (1)
Weight, g/mol:	291.110673
ΔH_f, kcal/mol:	0.8
Dipole, Da:	3.27
IP(EA), eV:	-9.12(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-hydroxy-4-(4-morpholin-4-ylphenyl)-2-oxobut-3-enoate

Drug info:

PubChemData

Smile

C1[C@H](C2=C(NC1=O)N(C=N2)C3=CC(=C(C=C3)F)Cl)C4=CN=CC=C4

DOS

IR

Vibrations