Geometry & MOs

Info

ID:	166322
PubChem CID:	74670239
Reduced:	ClO2N3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	317.132374
ΔH_f, kcal/mol:	38.28
Dipole, Da:	18.15
IP(EA), eV:	-6.39(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(furan-2-yl)-N-(2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

C[NH+](CC1=CC=C(C=C1)OCC=C)CC2=CC(=O)[NH+]3C=C(C=CC3=N2)Cl

DOS

IR

Vibrations