Geometry & MOs

Info

ID:

397461

PubChem CID:

135030246

Reduced:

ON3C28H31 (1)

Stoich.:

AB3C28D31 (1)

Weight, g/mol:

449.096281

ΔHf, kcal/mol:

77.0

Dipole, Da:

8.93

IP(EA), eV:

 -8.9(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-(trifluoromethyl)phenyl]-9-[[4-(trifluoromethyl)phenyl]methyl]-4-oxa-3,8,11-triazatricyclo[6.3.0.02,6]undeca-1(11),2,5,9-tetraene

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CC2=CN=C3N2CC4=C(ON=C43)C5=CC=C(C=C5)C(C)(C)C

DOS

IR

Vibrations