Geometry & MOs

Info

ID:	390885
PubChem CID:	135001433
Reduced:	O2F4H12C13 (1)
Stoich.:	A2B4C12D13 (1)
Weight, g/mol:	272.141245
ΔH_f, kcal/mol:	-253.23
Dipole, Da:	1.15
IP(EA), eV:	-10.34(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-2-methyl-5-(3-methyl-1-benzofuran-2-yl)pent-4-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/C=C/C1=C(C(=C(C=C1F)F)F)F

DOS

IR

Vibrations