Geometry & MOs

Info

ID:

447975

PubChem CID:

135287264

Reduced:

O3N4H22C27 (1)

Stoich.:

A3B4C22D27 (1)

Weight, g/mol:

445.171417

ΔHf, kcal/mol:

6.24

Dipole, Da:

6.25

IP(EA), eV:

 -7.74(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[(1R,8R)-5-(2,6-difluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]pyridin-2-yl]-5-methyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=C3N=C(C(=O)N3C=C(N2)C4=CC=CC=C4)CC5=CC=C(C=C5)OC(=O)N

DOS

IR

Vibrations