Geometry & MOs

Info

ID:	211415
PubChem CID:	80945670
Reduced:	ClN4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	264.114174
ΔH_f, kcal/mol:	49.86
Dipole, Da:	5.13
IP(EA), eV:	-9.56(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-propyl-6-(1-propylpyrazol-4-yl)pyrimidine

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)Cl)C2=CN(N=C2)CC

DOS

IR

Vibrations