Geometry & MOs

Info

ID:	353585
PubChem CID:	127285162
Reduced:	FO3N4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	398.206639
ΔH_f, kcal/mol:	-170.04
Dipole, Da:	4.4
IP(EA), eV:	-9.53(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carbonyl]piperidin-4-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2CCN(CC2)C(=O)CNC(=O)NCC3=CC=C(C=C3)F

DOS

IR

Vibrations