Geometry & MOs

Info

ID:	351492
PubChem CID:	127280380
Reduced:	O2N5C20H29 (1)
Stoich.:	A2B5C20D29 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	-60.09
Dipole, Da:	5.07
IP(EA), eV:	-8.72(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=C(N=CC=C3)N4CCCC4

DOS

IR

Vibrations