Geometry & MOs

Info

ID:	231908
PubChem CID:	87574883
Reduced:	NSO2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	228.20893
ΔH_f, kcal/mol:	-28.72
Dipole, Da:	3.6
IP(EA), eV:	-8.32(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methylhexan-2-one

Drug info:

PubChemData

Smile

CC(=O)SOC1=CC=CC(=C1N)C2=CC=CC=C2

DOS

IR

Vibrations