Geometry & MOs

Info

ID:	232342
PubChem CID:	87576033
Reduced:	F3O3N4H7C13 (1)
Stoich.:	A3B3C4D7E13 (1)
Weight, g/mol:	447.169114
ΔH_f, kcal/mol:	-160.06
Dipole, Da:	11.32
IP(EA), eV:	-10.06(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-ethyl-9a,11a-dimethyl-7-oxo-3a,3b,4,8,9,9b,10,11-octahydro-3H-cyclopenta[i]phenanthridin-1-yl) trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C1=C(C2=NC(=C(N2C=C1C3=CNN=C3)C=O)C(=O)O)C(F)(F)F

DOS

IR

Vibrations