Geometry & MOs

Info

ID:	265957
PubChem CID:	103557018
Reduced:	ClO2C7H11 (1)
Stoich.:	AB2C7D11 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-96.16
Dipole, Da:	3.16
IP(EA), eV:	-10.36(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methoxycyclobutyl)-3-(3-methylpyridin-2-yl)propan-2-one

Drug info:

PubChemData

Smile

COC1(CCC1)CC(=O)Cl

DOS

IR

Vibrations