Geometry & MOs

Info

ID:	210817
PubChem CID:	80857591
Reduced:	Cl2N5C10H11 (1)
Stoich.:	A2B5C10D11 (1)
Weight, g/mol:	279.125073
ΔH_f, kcal/mol:	70.4
Dipole, Da:	4.73
IP(EA), eV:	-8.93(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCCNC1=NC=C(C(=N1)N2C=C(C=N2)Cl)Cl

DOS

IR

Vibrations