Geometry & MOs

Info

ID:	341068
PubChem CID:	127263503
Reduced:	BrNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	333.168856
ΔH_f, kcal/mol:	-67.89
Dipole, Da:	5.39
IP(EA), eV:	-8.89(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-amino-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate

Drug info:

PubChemData

Smile

CN(C(=O)C1CCC2=C(O1)C=CC(=C2)Br)OC

DOS

IR

Vibrations