Geometry & MOs

Info

ID:	336467
PubChem CID:	127255474
Reduced:	NOCl2C3H7 (1)
Stoich.:	ABC2D3E7 (1)
Weight, g/mol:	184.14633
ΔH_f, kcal/mol:	-77.11
Dipole, Da:	2.9
IP(EA), eV:	-10.47(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,7S)-3,7-dimethylnonane-4,6-dione

Drug info:

PubChemData

Smile

C(C([C@@H](N)Cl)O)Cl

DOS

IR

Vibrations