Geometry & MOs

Info

ID:	47871
PubChem CID:	10535702
Reduced:	ClN2O2C7H11 (1)
Stoich.:	AB2C2D7E11 (1)
Weight, g/mol:	190.112443
ΔH_f, kcal/mol:	11.28
Dipole, Da:	5.86
IP(EA), eV:	-8.74(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-chloro-5-methylnonan-3-one

Drug info:

PubChemData

Smile

CC12CCCCC1([N+](=O)N2[O-])Cl

DOS

IR

Vibrations