Geometry & MOs

Info

ID:	167265
PubChem CID:	74799174
Reduced:	FO3N5H24C28 (1)
Stoich.:	AB3C5D24E28 (1)
Weight, g/mol:	406.249452
ΔH_f, kcal/mol:	-30.01
Dipole, Da:	3.59
IP(EA), eV:	-9.53(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-cyclohexyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NC=C2CN(CCC2=C1CNC(=O)C3C=CC(=O)N=N3)C(=O)C4=CC=CC(=C4)C5=CC=C(C=C5)F

DOS

IR

Vibrations