Geometry & MOs

Info

ID:	401042
PubChem CID:	135049889
Reduced:	OS2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	224.141244
ΔH_f, kcal/mol:	-5.28
Dipole, Da:	1.78
IP(EA), eV:	-8.48(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-butan-2-yl-3-methyl-2-methylidene-3H-furan-4-carboxylate

Drug info:

PubChemData

Smile

CCS/C(=C(\C)/C(=O)C1=CC=CC=C1)/SC

DOS

IR

Vibrations