Geometry & MOs

Info

ID:	205690
PubChem CID:	80135121
Reduced:	ClN3O3C10H14 (1)
Stoich.:	AB3C3D10E14 (1)
Weight, g/mol:	303.02185
ΔH_f, kcal/mol:	-38.57
Dipole, Da:	2.71
IP(EA), eV:	-10.61(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromopentan-2-yl)-6-methoxy-5-nitropyrimidine

Drug info:

PubChemData

Smile

CCC(C(C)C1=C(C(=NC=N1)OC)[N+](=O)[O-])Cl

DOS

IR

Vibrations