Geometry & MOs

Info

ID:	51762
PubChem CID:	12014493
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	258.102272
ΔH_f, kcal/mol:	-119.69
Dipole, Da:	4.21
IP(EA), eV:	-8.69(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(chloromethyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC(=C1)C=C(C)C)C

DOS

IR

Vibrations