Geometry & MOs

Info

ID:	194919
PubChem CID:	78608897
Reduced:	OSN4C16H20 (1)
Stoich.:	ABC4D16E20 (1)
Weight, g/mol:	347.184506
ΔH_f, kcal/mol:	32.83
Dipole, Da:	5.99
IP(EA), eV:	-8.26(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2-phenoxyethylamino)ethyl] 2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)C1=NC=C(S1)C=NNC(=O)C2=CC=CC=C2C

DOS

IR

Vibrations