Geometry & MOs

Info

ID:	222276
PubChem CID:	85296013
Reduced:	NOC9H11 (2)
Stoich.:	ABC9D11 (2)
Weight, g/mol:	302.151809
ΔH_f, kcal/mol:	-54.33
Dipole, Da:	3.54
IP(EA), eV:	-8.11(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-2-(2-phenylmethoxypropylidene)-3H-furan-4-carboxylate

Drug info:

PubChemData

Smile

C1CN2CCC3=C(C2CC1C4OCCO4)NC5=CC=CC=C35

DOS

IR

Vibrations