Geometry & MOs

Info

ID:	224842
PubChem CID:	85455323
Reduced:	ClO3N4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	357.161446
ΔH_f, kcal/mol:	-33.28
Dipole, Da:	8.02
IP(EA), eV:	-8.48(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCCN2CCN(CC2)C3=CN=NC(=O)C3Cl

DOS

IR

Vibrations