Geometry & MOs

Info

ID:	225411
PubChem CID:	85756790
Reduced:	NF5O5C14H14 (1)
Stoich.:	AB5C5D14E14 (1)
Weight, g/mol:	384.040066
ΔH_f, kcal/mol:	-431.16
Dipole, Da:	5.69
IP(EA), eV:	-9.64(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13H-chromeno[3,2-b]xanthen-5-ium;perchlorate

Drug info:

PubChemData

Smile

COC(=O)C1CC(CN1)OC2=C(C=C(C=C2)F)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations