Geometry & MOs

Info

ID:	135575
PubChem CID:	51895251
Reduced:	ON5C12H14 (1)
Stoich.:	AB5C12D14 (1)
Weight, g/mol:	258.135485
ΔH_f, kcal/mol:	71.63
Dipole, Da:	5.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.969623
Charge, e:	-1

Chem-info

IUPAC name:

2-(5-amino-3-cyclopropylpyrazol-1-yl)-6-propylpyrimidin-4-olate

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2C(=CC(=N2)C3CC3)N)[O-]

DOS

IR

Vibrations