Geometry & MOs

Info

ID:	215992
PubChem CID:	85085550
Reduced:	N3O3C9H11 (1)
Stoich.:	A3B3C9D11 (1)
Weight, g/mol:	209.105193
ΔH_f, kcal/mol:	-66.66
Dipole, Da:	7.86
IP(EA), eV:	-9.67(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-octa-4,7-dienoyloxirane-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(OC1CO)N2C=CC(=O)N=C2N

DOS

IR

Vibrations