Geometry & MOs

Info

ID:	397563
PubChem CID:	135030394
Reduced:	O2H12C17 (1)
Stoich.:	A2B12C17 (1)
Weight, g/mol:	304.045962
ΔH_f, kcal/mol:	-7.16
Dipole, Da:	5.07
IP(EA), eV:	-9.38(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-(trifluoromethyl)-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-9-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=[18O])OC(=C2)C3=CC=CC=C3

DOS

IR

Vibrations