Geometry & MOs

Info

ID:

191148

PubChem CID:

78111688

Reduced:

ON5F6C21H23 (1)

Stoich.:

AB5C6D21E23 (1)

Weight, g/mol:

456.061918

ΔHf, kcal/mol:

-242.39

Dipole, Da:

9.98

IP(EA), eV:

 -8.95(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(8,10-dichloro-14,16-dimethyl-12-oxa-4,14-diazapentacyclo[11.7.0.01,5.06,11.015,20]icosa-6(11),7,9,15,17,19-hexaen-4-yl)-2,2,2-trifluoroethanone

Drug info:

PubChemData

Smile

CC(C)N(CCCC(F)(F)F)CCN1C=NC2=C1C=CC(=C2)C=CC3=NOC(=N3)C(F)(F)F

DOS

IR

Vibrations