Geometry & MOs

Info

ID:	351530
PubChem CID:	127280418
Reduced:	O4N5C18H29 (1)
Stoich.:	A4B5C18D29 (1)
Weight, g/mol:	396.227374
ΔH_f, kcal/mol:	-167.33
Dipole, Da:	6.76
IP(EA), eV:	-9.21(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CCN1CCN(C(=O)C1=O)CC(=O)N2CCN(CC2)C(=O)CN3CCCC3

DOS

IR

Vibrations