Geometry & MOs

Info

ID:	176262
PubChem CID:	76021039
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	521.300205
ΔH_f, kcal/mol:	-112.43
Dipole, Da:	6.92
IP(EA), eV:	-9.13(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

C=CCC12CC(=O)OC1OCC3N2CCC3

DOS

IR

Vibrations