Geometry & MOs

Info

ID:	418737
PubChem CID:	135106670
Reduced:	N3O4C20H21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	299.163377
ΔH_f, kcal/mol:	-51.28
Dipole, Da:	2.32
IP(EA), eV:	-8.86(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC1CC2=CC=CC=C2O1)C(=O)CCCC3=NC(=NO3)C4=CC=CO4

DOS

IR

Vibrations