Geometry & MOs

Info

ID:	387524
PubChem CID:	134985711
Reduced:	NO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	200.17763
ΔH_f, kcal/mol:	-96.5
Dipole, Da:	5.22
IP(EA), eV:	-9.64(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-2,2,5-trimethylnonan-3-one

Drug info:

PubChemData

Smile

C1CNC(=O)C2=CC=CC=C2C13OCCO3

DOS

IR

Vibrations