Geometry & MOs

Info

ID:	182310
PubChem CID:	76873980
Reduced:	O2N4C14H23 (1)
Stoich.:	A2B4C14D23 (1)
Weight, g/mol:	265.166451
ΔH_f, kcal/mol:	-59.64
Dipole, Da:	3.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.848773
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations