Geometry & MOs

Info

ID:	262425
PubChem CID:	103292787
Reduced:	BrClOSN2H10C11 (1)
Stoich.:	ABCDE2F10G11 (1)
Weight, g/mol:	299.022832
ΔH_f, kcal/mol:	9.26
Dipole, Da:	4.78
IP(EA), eV:	-8.74(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-[(2-chloro-6-methoxyphenyl)methylamino]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)Cl)CNC2=NC(=CS2)Br

DOS

IR

Vibrations