Geometry & MOs

Info

ID:	184642
PubChem CID:	77186844
Reduced:	N4O4C23H32 (1)
Stoich.:	A4B4C23D32 (1)
Weight, g/mol:	439.294725
ΔH_f, kcal/mol:	-128.48
Dipole, Da:	4.64
IP(EA), eV:	-8.63(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclopentylmethyl)-N-methyl-6-oxo-N-(4-piperazin-1-ylphenyl)-1,2,3,3a,4,5,7,7a-octahydroindazole-5-carboxamide

Drug info:

PubChemData

Smile

CCCCC1C2CC(C(=O)CC2NN1)C(=O)N(C)C3=CC=C(C=C3)N4CCOCC4=O

DOS

IR

Vibrations