Geometry & MOs

Info

ID:	166682
PubChem CID:	74723221
Reduced:	Cl2N2O3C14H17 (1)
Stoich.:	A2B2C3D14E17 (1)
Weight, g/mol:	303.150881
ΔH_f, kcal/mol:	-102.67
Dipole, Da:	11.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754713
Charge, e:	1

Chem-info

IUPAC name:

4-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide

Drug info:

PubChemData

Smile

CC[NH+]1CCOC(=O)C1CC(=O)NC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations