Geometry & MOs

Info

ID:	369764
PubChem CID:	127335236
Reduced:	O3N5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	397.191403
ΔH_f, kcal/mol:	-81.01
Dipole, Da:	11.62
IP(EA), eV:	-8.35(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenyl)-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)C3=CC4=C(CCCC4=O)NC3=O

DOS

IR

Vibrations