Geometry & MOs

Info

ID:	37300
PubChem CID:	8019302
Reduced:	NO3C11H15 (2)
Stoich.:	AB3C11D15 (2)
Weight, g/mol:	414.08171
ΔH_f, kcal/mol:	-224.79
Dipole, Da:	7.02
IP(EA), eV:	-8.91(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-bromo-N'-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]benzohydrazide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1(CCCCC1)C#N)OC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations