Geometry & MOs

Info

ID:	369566
PubChem CID:	127334621
Reduced:	ON4C22H32 (1)
Stoich.:	AB4C22D32 (1)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	-45.27
Dipole, Da:	1.32
IP(EA), eV:	-8.84(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzoyl-2-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC12CC3CC(C1)(CC(C3)(C2)C(=O)NC4CCCN(C4)C5=NN=CC=C5)C

DOS

IR

Vibrations