Geometry & MOs

Info

ID:	369475
PubChem CID:	127334136
Reduced:	ON5C22H29 (1)
Stoich.:	AB5C22D29 (1)
Weight, g/mol:	399.263425
ΔH_f, kcal/mol:	27.34
Dipole, Da:	2.68
IP(EA), eV:	-8.72(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(4-methylcyclohexyl)-5-oxo-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCCN(C1)C2=NN=CC=C2)C(=O)C3CCCN3CC4=CC=CC=C4

DOS

IR

Vibrations