Geometry & MOs

Info

ID:	53469
PubChem CID:	14716216
Reduced:	O2C7F12 (1)
Stoich.:	A2B7C12 (1)
Weight, g/mol:	275.105862
ΔH_f, kcal/mol:	-635.51
Dipole, Da:	1.19
IP(EA), eV:	-10.4(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,9-triaminobenzo[a]phenalen-7-one

Drug info:

PubChemData

Smile

C1(=C(OC(O1)(C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F)F)F

DOS

IR

Vibrations