Geometry & MOs

Info

ID:	156988
PubChem CID:	56404451
Reduced:	NCl2O4C20H25 (1)
Stoich.:	AB2C4D20E25 (1)
Weight, g/mol:	346.135114
ΔH_f, kcal/mol:	-177.33
Dipole, Da:	3.62
IP(EA), eV:	-9.24(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCC1C2OCCO2)C(=O)C3(CCOCC3)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations