Geometry & MOs

Info

ID:	52242
PubChem CID:	12015049
Reduced:	ON2F3H25C27 (1)
Stoich.:	AB2C3D25E27 (1)
Weight, g/mol:	259.96842
ΔH_f, kcal/mol:	-121.09
Dipole, Da:	3.58
IP(EA), eV:	-8.84(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethoxyethenyl 5-bromofuran-2-carboxylate

Drug info:

PubChemData

Smile

CC1(CC(=CC(C1)(C)C)C(=O)C2=C3C4=CC=CC=C4N=C(N3C5=CC=CC=C52)C(F)(F)F)C

DOS

IR

Vibrations