Geometry & MOs

Info

ID:	287639
PubChem CID:	104249692
Reduced:	N2O2C13H20 (1)
Stoich.:	A2B2C13D20 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-76.14
Dipole, Da:	3.3
IP(EA), eV:	-9.57(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxan-2-yl)hex-5-en-2-one

Drug info:

PubChemData

Smile

CCCN1C=CN=C1C(=O)CC2CCCCO2

DOS

IR

Vibrations