Geometry & MOs

Info

ID:	424841
PubChem CID:	135124156
Reduced:	S2O4N5C26H35 (1)
Stoich.:	A2B4C5D26E35 (1)
Weight, g/mol:	246.100442
ΔH_f, kcal/mol:	-102.87
Dipole, Da:	10.59
IP(EA), eV:	-9.26(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-5-nitrospiro[1H-indole-3,1'-cyclopentane]-2-one

Drug info:

PubChemData

Smile

CCN1C=C(N=N1)CCC(C2=CC(=C(S2)C)CN3C[C@H](CC4=C(S3(=O)=O)C=CC=N4)C)C(C)(C)C(=O)O

DOS

IR

Vibrations