Geometry & MOs

Info

ID:	408240
PubChem CID:	135081002
Reduced:	NO4C11H13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	196.14633
ΔH_f, kcal/mol:	-81.55
Dipole, Da:	3.87
IP(EA), eV:	-9.81(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-hept-1-enyl]oxan-2-one

Drug info:

PubChemData

Smile

C[C@H](C[N+](=O)[O-])C(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations