Geometry & MOs

Info

ID:	182307
PubChem CID:	76873977
Reduced:	O3N5C13H22 (1)
Stoich.:	A3B5C13D22 (1)
Weight, g/mol:	296.20865
ΔH_f, kcal/mol:	-110.11
Dipole, Da:	4.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.867907
Charge, e:	1

Chem-info

IUPAC name:

6-amino-5-[2-(dimethylamino)-2-methylpropyl]imino-3-methyl-1-propylpyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CCCNC(=O)CN=C1C(=[N+](C(=O)N(C1=O)C)CCC)N

DOS

IR

Vibrations