Geometry & MOs

Info

ID:	151008
PubChem CID:	53790705
Reduced:	N3O6C31H39 (1)
Stoich.:	A3B6C31D39 (1)
Weight, g/mol:	327.038828
ΔH_f, kcal/mol:	-130.94
Dipole, Da:	4.8
IP(EA), eV:	-8.56(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dihydroxy-4-prop-1-enyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-2-yl) trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CCC(CC)(CN(C)CC1=CC=CC=C1)COC(=O)C2=C(N=C(C(C2C3=CC=CC=C3[N+](=O)[O-])C(=O)OC)C)C

DOS

IR

Vibrations