Geometry & MOs

Info

ID:	356787
PubChem CID:	127292327
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	384.252526
ΔH_f, kcal/mol:	-31.23
Dipole, Da:	2.06
IP(EA), eV:	-9.03(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylpiperazin-1-yl)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)C(C)NC(=O)N3CCCCC3C4=NC=CN4

DOS

IR

Vibrations