Geometry & MOs

Info

ID:	139432
PubChem CID:	52530496
Reduced:	F2O2N3H19C20 (1)
Stoich.:	A2B2C3D19E20 (1)
Weight, g/mol:	356.197417
ΔH_f, kcal/mol:	-86.72
Dipole, Da:	3.7
IP(EA), eV:	-8.91(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-[[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]furan-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)[C@H]1CC(=NN1C2=CC=CC=C2)C(=O)N(C)CC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations