Geometry & MOs

Info

ID:	211414
PubChem CID:	80945332
Reduced:	ClO2N3C13H20 (1)
Stoich.:	AB2C3D13E20 (1)
Weight, g/mol:	250.098524
ΔH_f, kcal/mol:	-93.16
Dipole, Da:	4.83
IP(EA), eV:	-9.48(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(1-ethylpyrazol-4-yl)-2-propylpyrimidine

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)Cl)NCCCC(=O)OCC

DOS

IR

Vibrations