Geometry & MOs

Info

ID:	351538
PubChem CID:	127280426
Reduced:	N3O4C15H25 (1)
Stoich.:	A3B4C15D25 (1)
Weight, g/mol:	396.227374
ΔH_f, kcal/mol:	-168.6
Dipole, Da:	6.67
IP(EA), eV:	-9.15(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3COCCO3

DOS

IR

Vibrations