Geometry & MOs

Info

ID:	395491
PubChem CID:	135025588
Reduced:	FNOH10C14 (1)
Stoich.:	ABCD10E14 (1)
Weight, g/mol:	376.224974
ΔH_f, kcal/mol:	-1.59
Dipole, Da:	2.13
IP(EA), eV:	-9.99(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-4-[2-(6-ethoxy-6-oxohexoxy)phenyl]-2,2-dimethylbut-3-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)/C(=C/C2=CC=CC=N2)/F

DOS

IR

Vibrations