Geometry & MOs

Info

ID:

68010

PubChem CID:

46507598

Reduced:

N3O3H25C26 (1)

Stoich.:

A3B3C25D26 (1)

Weight, g/mol:

566.21409

ΔHf, kcal/mol:

-71.96

Dipole, Da:

6.09

IP(EA), eV:

 -8.63(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-methoxy-9-methyl-10-[3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)NC4CC3(OC5=CC=CC=C45)C

DOS

IR

Vibrations