Geometry & MOs

Info

ID:	263184
PubChem CID:	103344028
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	269.118257
ΔH_f, kcal/mol:	-80.88
Dipole, Da:	1.23
IP(EA), eV:	-9.68(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]pentan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)CC(CCO)C(=O)C

DOS

IR

Vibrations