Geometry & MOs

Info

ID:	205704
PubChem CID:	80137326
Reduced:	N4O4H8C11 (1)
Stoich.:	A4B4C8D11 (1)
Weight, g/mol:	231.148396
ΔH_f, kcal/mol:	44.4
Dipole, Da:	8.34
IP(EA), eV:	-9.96(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-6-(1-methylpyrazol-4-yl)-N-propylpyrimidin-2-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(C=CC(=N2)N)[N+](=O)[O-]

DOS

IR

Vibrations