Geometry & MOs

Info

ID:	54024
PubChem CID:	14719601
Reduced:	ClON2H9C13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	242.141913
ΔH_f, kcal/mol:	74.44
Dipole, Da:	3.4
IP(EA), eV:	-9.81(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-phenyl-2-pyrimidin-5-ylbutan-2-ol

Drug info:

PubChemData

Smile

C#CC(C1=CC=C(C=C1)Cl)(C2=CN=CN=C2)O

DOS

IR

Vibrations