Geometry & MOs

Info

ID:	217703
PubChem CID:	85088242
Reduced:	ON3F4H17C20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	391.153206
ΔH_f, kcal/mol:	-157.38
Dipole, Da:	9.37
IP(EA), eV:	-8.62(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,9-dimethylpyrido[2,3-b]indol-1-ium-6-yl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(CC1=CN=CN1)NC(=C2C=C(C=CC2=O)F)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations