Geometry & MOs

Info

ID:	266576
PubChem CID:	103572342
Reduced:	O2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	356.04034
ΔH_f, kcal/mol:	-72.52
Dipole, Da:	3.33
IP(EA), eV:	-9.32(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-chloro-6-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)pyrimidine

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)CC(CN)C(=O)OCC

DOS

IR

Vibrations