Geometry & MOs

Info

ID:	54023
PubChem CID:	14719595
Reduced:	OCl2N2H6C11 (1)
Stoich.:	AB2C2D6E11 (1)
Weight, g/mol:	244.040341
ΔH_f, kcal/mol:	22.51
Dipole, Da:	2.34
IP(EA), eV:	-10.21(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-1-pyrimidin-5-ylprop-2-yn-1-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)C(=O)C2=CN=CN=C2

DOS

IR

Vibrations