Geometry & MOs

Info

ID:	351613
PubChem CID:	127280505
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	378.172562
ΔH_f, kcal/mol:	-63.68
Dipole, Da:	2.67
IP(EA), eV:	-8.32(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-3-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N2)C(=CC=C3)C(=O)N4CCN(CC4)C(=O)CN5CCCC5

DOS

IR

Vibrations