Geometry & MOs

Info

ID:

423991

PubChem CID:

135120949

Reduced:

OF3N6H25C27 (1)

Stoich.:

AB3C6D25E27 (1)

Weight, g/mol:

501.246393

ΔHf, kcal/mol:

-68.99

Dipole, Da:

7.43

IP(EA), eV:

 -8.6(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylmethyl)-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(N1)C=CC(=C2)CNC(=O)C3=CN(N=C3C(F)(F)F)CC4=CC=C(C=C4)CN5C=C(C=N5)C

DOS

IR

Vibrations