Geometry & MOs

Info

ID:	386253
PubChem CID:	134981197
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	181.110279
ΔH_f, kcal/mol:	-89.7
Dipole, Da:	1.68
IP(EA), eV:	-9.47(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-5-methyl-4-nitro-2,3,3a,4,5,7a-hexahydro-1H-indene

Drug info:

PubChemData

Smile

CCO[C@H]1CC[C@@H](C=C1)OCC

DOS

IR

Vibrations