Geometry & MOs

Info

ID:	230405
PubChem CID:	87570806
Reduced:	O3F4N5H23C26 (1)
Stoich.:	A3B4C5D23E26 (1)
Weight, g/mol:	216.136159
ΔH_f, kcal/mol:	-215.33
Dipole, Da:	6.39
IP(EA), eV:	-8.52(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-diethoxyethyl (E)-2-methylbut-2-enoate

Drug info:

PubChemData

Smile

C1CN(CCC2=C1C=CC(=C2)NC3=NN4C=CC=C(C4=N3)C5=C(C=CC(=C5)C(F)F)OCC(F)F)C(=O)O

DOS

IR

Vibrations