Geometry & MOs

Info

ID:	221408
PubChem CID:	85272553
Reduced:	O2F3N4H7C8 (1)
Stoich.:	A2B3C4D7E8 (1)
Weight, g/mol:	260.17763
ΔH_f, kcal/mol:	-149.8
Dipole, Da:	4.47
IP(EA), eV:	-9.16(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-methyltetracyclo[8.6.0.02,7.011,14]hexadecane-12,13-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N2C(=O)NNN2)OC(F)(F)F

DOS

IR

Vibrations