Geometry & MOs

Info

ID:	192517
PubChem CID:	78279455
Reduced:	O2N3C14H18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	284.139902
ΔH_f, kcal/mol:	2.19
Dipole, Da:	3.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.910236
Charge, e:	1

Chem-info

IUPAC name:

[2-[(3-cyanobenzoyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations