Geometry & MOs

Info

ID:	291563
PubChem CID:	113443361
Reduced:	BrO3H13C15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	324.02219
ΔH_f, kcal/mol:	-53.1
Dipole, Da:	3.68
IP(EA), eV:	-8.7(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-bromo-4-methoxyphenoxy)-5-methylpyrimidin-2-yl]hydrazine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OCC(=O)C2=CC=CC=C2)Br

DOS

IR

Vibrations