Geometry & MOs

Info

ID:	351586
PubChem CID:	127280478
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	398.177647
ΔH_f, kcal/mol:	-92.21
Dipole, Da:	6.18
IP(EA), eV:	-9.29(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)CCN3C=NC4=CC=CC=C4C3=O

DOS

IR

Vibrations