Geometry & MOs

Info

ID:	218682
PubChem CID:	85089802
Reduced:	IN3O5C18H32 (1)
Stoich.:	AB3C5D18E32 (1)
Weight, g/mol:	370.234196
ΔH_f, kcal/mol:	-242.72
Dipole, Da:	11.53
IP(EA), eV:	-7.6(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[5-(hydroxymethyl)-4-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(O2)CO)OCC[N+]3(CCCCC3)C.[I-]

DOS

IR

Vibrations