Geometry & MOs

Info

ID:	227842
PubChem CID:	87562670
Reduced:	NO2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	228.172545
ΔH_f, kcal/mol:	-77.14
Dipole, Da:	5.46
IP(EA), eV:	-10.29(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexyl 2-ethyl-4-oxopentanoate

Drug info:

PubChemData

Smile

C1C(C(=O)NCC1(C2=CC=CC=C2)[N+](=O)[O-])CO

DOS

IR

Vibrations