Geometry & MOs

Info

ID:	210886
PubChem CID:	80868828
Reduced:	ClN9C10H10 (1)
Stoich.:	AB9C10D10 (1)
Weight, g/mol:	223.062473
ΔH_f, kcal/mol:	160.9
Dipole, Da:	5.73
IP(EA), eV:	-9.61(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-chloro-3-methylpyrazol-1-yl)-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=NN(C=C1Cl)C2=NC(=NC(=N2)NC)N3C=NC=N3

DOS

IR

Vibrations