Geometry & MOs

Info

ID:

181291

PubChem CID:

76728056

Reduced:

ON6C24H26 (1)

Stoich.:

AB6C24D26 (1)

Weight, g/mol:

606.183238

ΔHf, kcal/mol:

81.27

Dipole, Da:

6.53

IP(EA), eV:

 -8.67(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[3-[[2-[4-chloro-2-(trifluoromethyl)phenoxy]-2-methylpropanoyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1CC2=CC(=CC=C2)C=C(C(=N)C3=C(C=CC(=C3)C4=CN=CN=C4)N)N

DOS

IR

Vibrations