Geometry & MOs

Info

ID:	211445
PubChem CID:	80951274
Reduced:	ClN3C14H22 (1)
Stoich.:	AB3C14D22 (1)
Weight, g/mol:	280.054945
ΔH_f, kcal/mol:	-12.36
Dipole, Da:	5.13
IP(EA), eV:	-9.04(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-cyclopropyl-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidine

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC(=N1)Cl)N2CCC(CC2)(C)C

DOS

IR

Vibrations