Geometry & MOs

Info

ID:	27269
PubChem CID:	820085
Reduced:	SN2O2C6H8 (1)
Stoich.:	AB2C2D6E8 (1)
Weight, g/mol:	252.12224
ΔH_f, kcal/mol:	-55.8
Dipole, Da:	8.66
IP(EA), eV:	-9.19(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylpiperidin-1-yl)-2-(4-nitroimidazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CN1C=CN=C1SCC(=O)O

DOS

IR

Vibrations