Geometry & MOs

Info

ID:	202985
PubChem CID:	79757942
Reduced:	SN2O2C11H20 (1)
Stoich.:	AB2C2D11E20 (1)
Weight, g/mol:	205.110279
ΔH_f, kcal/mol:	-99.04
Dipole, Da:	7.29
IP(EA), eV:	-9.06(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyloxolan-3-yl)-2-pyridin-4-ylethanone

Drug info:

PubChemData

Smile

CCN(CCC(=S)N)C(=O)C1CCOC1C

DOS

IR

Vibrations