Geometry & MOs

Info

ID:	215914
PubChem CID:	85085435
Reduced:	O2N3C9H11 (1)
Stoich.:	A2B3C9D11 (1)
Weight, g/mol:	194.092952
ΔH_f, kcal/mol:	14.05
Dipole, Da:	4.77
IP(EA), eV:	-9.76(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-ethyl-3,6-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(ON=C1C)CCC(=O)C=[N+]=[N-]

DOS

IR

Vibrations