Geometry & MOs

Info

ID:	292433
PubChem CID:	115001377
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-68.22
Dipole, Da:	1.88
IP(EA), eV:	-9.68(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylbutoxy)-1-pyridin-3-ylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)CCOCCC(=O)C1=CC=CC=N1

DOS

IR

Vibrations