Geometry & MOs

Info

ID:	337100
PubChem CID:	127256665
Reduced:	O3C8H10 (1)
Stoich.:	A3B8C10 (1)
Weight, g/mol:	281.089937
ΔH_f, kcal/mol:	-104.17
Dipole, Da:	2.39
IP(EA), eV:	-8.52(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2H-pyran-3-yl 2-methoxy-4-nitrocyclohex-2-ene-1-carboxylate

Drug info:

PubChemData

Smile

CCC(=O)OC1=CC=COC1

DOS

IR

Vibrations