Geometry & MOs

Info

ID:	271559
PubChem CID:	103684077
Reduced:	BrN2O4C11H15 (1)
Stoich.:	AB2C4D11E15 (1)
Weight, g/mol:	211.132077
ΔH_f, kcal/mol:	-81.09
Dipole, Da:	5.58
IP(EA), eV:	-9.05(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-3-[(4-methylpyrimidin-2-yl)amino]butan-1-ol

Drug info:

PubChemData

Smile

COCC(CCO)NC1=C(C=C(C=C1)Br)[N+](=O)[O-]

DOS

IR

Vibrations