Geometry & MOs

Info

ID:	403402
PubChem CID:	135060074
Reduced:	S2O4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	218.037754
ΔH_f, kcal/mol:	-171.11
Dipole, Da:	2.52
IP(EA), eV:	-9.19(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-6-(2-methylbutan-2-yl)pyrimidine

Drug info:

PubChemData

Smile

C1CSC2(S1)C[C@@H](OC(C2)(CCO)O)COCC3=CC=CC=C3

DOS

IR

Vibrations