Geometry & MOs

Info

ID:	179267
PubChem CID:	76459029
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	347.12902
ΔH_f, kcal/mol:	-85.56
Dipole, Da:	3.25
IP(EA), eV:	-9.55(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,3-dimethyl-2,4-dioxo-6-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-ium-1-ylidene]-1,3-diazinane-5-carbonitrile

Drug info:

PubChemData

Smile

CCOC1CCN(CC1)C(=O)C2C=NC3=CC=CC=C3C2=O

DOS

IR

Vibrations