Geometry & MOs

Info

ID:	5521
PubChem CID:	13272
Reduced:	N2O5H6C9 (1)
Stoich.:	A2B5C6D9 (1)
Weight, g/mol:	222.027671
ΔH_f, kcal/mol:	-33.96
Dipole, Da:	3.31
IP(EA), eV:	-10.6(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-cyano-3-(5-nitrofuran-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

COC(=O)C(=CC1=CC=C(O1)[N+](=O)[O-])C#N

DOS

IR

Vibrations