Geometry & MOs

Info

ID:	343549
PubChem CID:	127266722
Reduced:	ON6C18H20 (1)
Stoich.:	AB6C18D20 (1)
Weight, g/mol:	289.117489
ΔH_f, kcal/mol:	89.71
Dipole, Da:	6.39
IP(EA), eV:	-9.04(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(4-methyl-3-nitropyridin-2-yl)pyrrolidin-3-yl]-1,2-dihydropyrazol-3-one

Drug info:

PubChemData

Smile

CN1C2=NC(=NC(=O)C2=CN1)N3CC4CC3CN4CC5=CC=CC=C5

DOS

IR

Vibrations