Geometry & MOs

Info

ID:	160436
PubChem CID:	57309784
Reduced:	ClNO2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	171.125929
ΔH_f, kcal/mol:	-56.23
Dipole, Da:	2.95
IP(EA), eV:	-9.33(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitrosononan-4-one

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C=C1)Cl)CC)N2C(=O)C=CC2=O

DOS

IR

Vibrations