Geometry & MOs

Info

ID:	162530
PubChem CID:	57394958
Reduced:	NO5C27H37 (1)
Stoich.:	AB5C27D37 (1)
Weight, g/mol:	400.05349
ΔH_f, kcal/mol:	-189.4
Dipole, Da:	1.45
IP(EA), eV:	-8.67(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromophenoxy)-1-[6-(2-imidazol-1-ylethylamino)pyridin-3-yl]ethanone

Drug info:

PubChemData

Smile

CCCCCCCC(=O)OC1=C(C=CC2=C1[C@@]34CCN([C@@H](C2)[C@H]3C=C(C(=O)C4)OC)C)OC

DOS

IR

Vibrations