Geometry & MOs

Info

ID:	315489
PubChem CID:	126627116
Reduced:	NC12H13 (2)
Stoich.:	AB12C13 (2)
Weight, g/mol:	186.16198
ΔH_f, kcal/mol:	158.66
Dipole, Da:	2.76
IP(EA), eV:	-8.06(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-9-hydroxynonan-4-one

Drug info:

PubChemData

Smile

CC/C=C\C=C(/C=C)\C1=NCC(=C)NC2=C1C=CC3=C(C2)C=CCC=C3

DOS

IR

Vibrations