Geometry & MOs

Info

ID:	210449
PubChem CID:	80809020
Reduced:	N3O3C12H17 (1)
Stoich.:	A3B3C12D17 (1)
Weight, g/mol:	260.174945
ΔH_f, kcal/mol:	-8.55
Dipole, Da:	7.43
IP(EA), eV:	-8.68(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N,5-diethyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

COCCN(C1CC1)C2=CC(=CC(=C2)N)[N+](=O)[O-]

DOS

IR

Vibrations