Geometry & MOs

Info

ID:	245709
PubChem CID:	103023041
Reduced:	ClO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	193.110279
ΔH_f, kcal/mol:	-93.24
Dipole, Da:	3.05
IP(EA), eV:	-9.42(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-3-methyl-1-pyridin-3-ylbutan-1-one

Drug info:

PubChemData

Smile

CC(C)(CC(=O)CC1=CC=C(C=C1)Cl)OC

DOS

IR

Vibrations