Geometry & MOs

Info

ID:	272612
PubChem CID:	103749994
Reduced:	OSN2C12H20 (1)
Stoich.:	ABC2D12E20 (1)
Weight, g/mol:	257.01637
ΔH_f, kcal/mol:	-45.05
Dipole, Da:	2.54
IP(EA), eV:	-8.43(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-but-3-en-2-yl-4-methoxypyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NCC2(CCOCC2)C)C

DOS

IR

Vibrations