Geometry & MOs

Info

ID:	162534
PubChem CID:	57394971
Reduced:	ON4C28H36 (1)
Stoich.:	AB4C28D36 (1)
Weight, g/mol:	242.22458
ΔH_f, kcal/mol:	-1.81
Dipole, Da:	2.86
IP(EA), eV:	-8.32(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2,2-dimethyltridecan-4-one

Drug info:

PubChemData

Smile

C1CC(CCC1C2=CNC3=CC=CC=C32)NC(C4CCN(CC4)CC5=CC=CC=C5)C(=O)N

DOS

IR

Vibrations