Geometry & MOs

Info

ID:	392308
PubChem CID:	135014414
Reduced:	N4O4C11H14 (1)
Stoich.:	A4B4C11D14 (1)
Weight, g/mol:	154.09938
ΔH_f, kcal/mol:	-112.04
Dipole, Da:	4.09
IP(EA), eV:	-8.71(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethoxy-2,5-dimethylcyclopent-2-en-1-one

Drug info:

PubChemData

Smile

C1=C(C2=NNC(=C2N=C1)[C@H]3C(C([C@H](O3)CO)O)O)N

DOS

IR

Vibrations