Geometry & MOs

Info

ID:	424517
PubChem CID:	135122983
Reduced:	BrN4O4H23C28 (1)
Stoich.:	AB4C4D23E28 (1)
Weight, g/mol:	332.137222
ΔH_f, kcal/mol:	45.53
Dipole, Da:	4.68
IP(EA), eV:	-8.98(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5'-nitro-2'-oxospiro[cyclopentane-1,3'-indole]-1'-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3Br)C4=CC=NN4C5=CC(=CC=C5)[N+](=O)[O-])C6(C2=O)CCC6

DOS

IR

Vibrations