Geometry & MOs

Info

ID:	287983
PubChem CID:	104304459
Reduced:	BrOSN2C14H15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	274.03169
ΔH_f, kcal/mol:	12.84
Dipole, Da:	3.35
IP(EA), eV:	-8.84(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromo-4-methoxybutyl)-6-methoxypyrimidine

Drug info:

PubChemData

Smile

COC1=NC=NC(=C1)CC(C2=CC3=C(S2)CCC3)Br

DOS

IR

Vibrations