Geometry & MOs

Info

ID:

170805

PubChem CID:

75282426

Reduced:

O2F3N4C28H37 (1)

Stoich.:

A2B3C4D28E37 (1)

Weight, g/mol:

491.287195

ΔHf, kcal/mol:

-238.5

Dipole, Da:

6.64

IP(EA), eV:

 -9.15(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylmethyl)-3-(cyclopropylmethyl)pyrrolidin-3-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

Drug info:

PubChemData

Smile

C1CC1CC2(CCN(C2)CC3CCC4CCC(=O)NC4C3)C(=O)N5CCC6=C(C5)C=C(C=N6)C(F)(F)F

DOS

IR

Vibrations