Geometry & MOs

Info

ID:

179760

PubChem CID:

76527301

Reduced:

FO2N6C28H35 (1)

Stoich.:

AB2C6D28E35 (1)

Weight, g/mol:

506.280553

ΔHf, kcal/mol:

-61.42

Dipole, Da:

5.64

IP(EA), eV:

 -8.48(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(6-fluoroindazol-2-yl)methyl]-3-hydroxycyclohexyl]-3-(2-methylpyridin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2C3CC(CCC3NN2)C(=O)NC4CCCC(C4)(CN5C6=C(C=CC(=C6)F)C=N5)O

DOS

IR

Vibrations