Geometry & MOs

Info

ID:	304306
PubChem CID:	124511069
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	333.216475
ΔH_f, kcal/mol:	10.85
Dipole, Da:	7.85
IP(EA), eV:	-9.27(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-N-cyclopentyl-3-N-(5-ethyl-1H-pyrazol-3-yl)piperidine-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C=NN2C=C1)C(=O)N3CCC[C@@H]3CC(=O)C4=CC=CC=C4

DOS

IR

Vibrations