Geometry & MOs

Info

ID:	426584
PubChem CID:	135150722
Reduced:	N3O4H9C11 (1)
Stoich.:	A3B4C9D11 (1)
Weight, g/mol:	483.93911
ΔH_f, kcal/mol:	-20.87
Dipole, Da:	5.25
IP(EA), eV:	-10.09(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-4-[4-(2,4-dibromoimidazol-1-yl)-1,3-thiazol-2-yl]morpholine

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])C2=CNN=C2

DOS

IR

Vibrations