Geometry & MOs

Info

ID:	182309
PubChem CID:	76873979
Reduced:	O2N4C14H23 (1)
Stoich.:	A2B4C14D23 (1)
Weight, g/mol:	279.182101
ΔH_f, kcal/mol:	-58.43
Dipole, Da:	3.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.847389
Charge, e:	1

Chem-info

IUPAC name:

6-amino-5-(1-cyclopropylethylimino)-3-methyl-1-(2-methylpropyl)pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CCCC[N+]1=C(C(=NC(C)C2CC2)C(=O)N(C1=O)C)N

DOS

IR

Vibrations