Geometry & MOs

Info

ID:	135574
PubChem CID:	51895250
Reduced:	ON5C11H12 (1)
Stoich.:	AB5C11D12 (1)
Weight, g/mol:	244.119835
ΔH_f, kcal/mol:	75.45
Dipole, Da:	5.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.970379
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2C(=CC(=N2)C3CC3)N)[O-]

DOS

IR

Vibrations