Geometry & MOs

Info

ID:	411908
PubChem CID:	135084762
Reduced:	NSO2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	64.69
Dipole, Da:	4.4
IP(EA), eV:	-8.52(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oct-1-en-3-yl furan-2-carboxylate

Drug info:

PubChemData

Smile

CC#CSCC1=CC=CC=C1[N+](=O)[O-]

DOS

IR

Vibrations