Geometry & MOs

Info

ID:	129464
PubChem CID:	51072674
Reduced:	N2O3C20H28 (1)
Stoich.:	A2B3C20D28 (1)
Weight, g/mol:	305.090807
ΔH_f, kcal/mol:	-130.46
Dipole, Da:	6.91
IP(EA), eV:	-8.81(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-thiophen-2-yl-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)N2CCC(CC2)C(=O)N3CCCCC3

DOS

IR

Vibrations