Geometry & MOs

Info

ID:	150883
PubChem CID:	53790580
Reduced:	O3N4C24H26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	211.048072
ΔH_f, kcal/mol:	-67.0
Dipole, Da:	2.74
IP(EA), eV:	-8.37(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-3a,4,5,6,7,7a-hexahydroindene-1,2,3-trione

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)N

DOS

IR

Vibrations