Geometry & MOs

Info

ID:	172778
PubChem CID:	75551236
Reduced:	BrO2N5C22H26 (1)
Stoich.:	AB2C5D22E26 (1)
Weight, g/mol:	427.177503
ΔH_f, kcal/mol:	-15.4
Dipole, Da:	5.22
IP(EA), eV:	-8.93(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)Br)C(=O)C3CC(NN3)C4=CC=CC=N4

DOS

IR

Vibrations