Geometry & MOs

Info

ID:	192518
PubChem CID:	78279456
Reduced:	O2N3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	397.18758
ΔH_f, kcal/mol:	21.72
Dipole, Da:	3.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.887715
Charge, e:	1

Chem-info

IUPAC name:

[2-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C[NH+](C)C(CNC(=O)C1=CC=CC(=C1)C#N)C2=CC=CO2

DOS

IR

Vibrations