Geometry & MOs

Info

ID:	271667
PubChem CID:	103687775
Reduced:	O3N4C11H18 (1)
Stoich.:	A3B4C11D18 (1)
Weight, g/mol:	307.97313
ΔH_f, kcal/mol:	-39.51
Dipole, Da:	8.35
IP(EA), eV:	-9.3(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]ethyl]benzonitrile

Drug info:

PubChemData

Smile

CN1C=NC(=C1NC2CCCCC2CO)[N+](=O)[O-]

DOS

IR

Vibrations