Geometry & MOs

Info

ID:	397100
PubChem CID:	135029731
Reduced:	NF6O6H23C28 (1)
Stoich.:	AB6C6D23E28 (1)
Weight, g/mol:	288.126263
ΔH_f, kcal/mol:	-502.19
Dipole, Da:	3.33
IP(EA), eV:	-10.47(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,13-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-2(10),4,6,8,16,18,20-heptaen-12-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)C2=C(C(=NC(=C2C(F)(F)F)C(=O)OCC)C(F)(F)F)C3=CC=C(C=C3)C(=O)OCC

DOS

IR

Vibrations