Geometry & MOs

Info

ID:	210816
PubChem CID:	80857590
Reduced:	ClN6C11H11 (1)
Stoich.:	AB6C11D11 (1)
Weight, g/mol:	271.039151
ΔH_f, kcal/mol:	112.79
Dipole, Da:	6.57
IP(EA), eV:	-8.7(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-(4-chloropyrazol-1-yl)-N-propylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCNC1=CN2C=CN=C2C(=N1)N3C=C(C=N3)Cl

DOS

IR

Vibrations