Geometry & MOs

Info

ID:	288706
PubChem CID:	104324085
Reduced:	ON5C14H23 (1)
Stoich.:	AB5C14D23 (1)
Weight, g/mol:	277.142641
ΔH_f, kcal/mol:	-37.49
Dipole, Da:	0.24
IP(EA), eV:	-8.5(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(methylamino)-5-nitrophenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC(=N1)N)N2CC3CCC(C3C2)O

DOS

IR

Vibrations