Geometry & MOs

Info

ID:	54022
PubChem CID:	14719587
Reduced:	SO2N3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	251.985718
ΔH_f, kcal/mol:	-26.61
Dipole, Da:	3.64
IP(EA), eV:	-8.69(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dichlorophenyl)-pyrimidin-5-ylmethanone

Drug info:

PubChemData

Smile

C1C(C2=C(CN1)N=C(S2)N)C3=CC(=C(C=C3)O)O

DOS

IR

Vibrations