Geometry & MOs

Info

ID:	210956
PubChem CID:	80876631
Reduced:	BrClON3H11C12 (1)
Stoich.:	ABCD3E11F12 (1)
Weight, g/mol:	280.036318
ΔH_f, kcal/mol:	17.54
Dipole, Da:	4.36
IP(EA), eV:	-9.02(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-chlorophenyl)methoxy]-5-nitropyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC1=NC=C(C(=N1)OCC2=CC=C(C=C2)Cl)Br

DOS

IR

Vibrations