Geometry & MOs

Info

ID:	210846
PubChem CID:	80861553
Reduced:	ON3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	226.96942
ΔH_f, kcal/mol:	-8.91
Dipole, Da:	2.98
IP(EA), eV:	-8.75(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-prop-2-ynoxypyrimidin-2-amine

Drug info:

PubChemData

Smile

CCNC1=C(C(=NC=N1)OCCC=C)C

DOS

IR

Vibrations