Geometry & MOs

Info

ID:	351517
PubChem CID:	127280405
Reduced:	SN4O4C15H26 (1)
Stoich.:	AB4C4D15E26 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	-171.51
Dipole, Da:	5.21
IP(EA), eV:	-9.0(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrrolidin-1-yl-1-[4-(1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)CN3CCCS3(=O)=O

DOS

IR

Vibrations