Geometry & MOs

Info

ID:	198240
PubChem CID:	79071395
Reduced:	O3N4C14H18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	380.81607
ΔH_f, kcal/mol:	-17.24
Dipole, Da:	2.59
IP(EA), eV:	-8.5(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-(5-bromopyridin-2-yl)sulfanyl-2-chloropyrimidine

Drug info:

PubChemData

Smile

CN1CCOC(C1)C2=NOC(=N2)COC3=CC=CC=C3N

DOS

IR

Vibrations