Geometry & MOs

Info

ID:	166680
PubChem CID:	74723219
Reduced:	O2N3F4H18C24 (1)
Stoich.:	A2B3C4D18E24 (1)
Weight, g/mol:	345.181432
ΔH_f, kcal/mol:	-183.96
Dipole, Da:	3.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.010457
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-(4-methoxyphenoxy)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[N+]2=C(NC(C2=O)(C(F)(F)F)NC(=O)C3=CC=CC=C3F)C4=CC=CC=C4

DOS

IR

Vibrations