Geometry & MOs

Info

ID:	141380
PubChem CID:	52871455
Reduced:	O4N6C25H30 (1)
Stoich.:	A4B6C25D30 (1)
Weight, g/mol:	328.166117
ΔH_f, kcal/mol:	-143.57
Dipole, Da:	2.77
IP(EA), eV:	-8.78(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-1-[[2-[(2-methylfuran-3-carbonyl)amino]phenyl]methyl]pyrrolidin-1-ium-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C(=CC(=N2)C(C)C)C(=O)N3CCN(CC3)C(=O)NC4=CC=CC(=C4)C)C(=O)NC1=O

DOS

IR

Vibrations