Geometry & MOs

Info

ID:

169869

PubChem CID:

75159495

Reduced:

F3N4O4C25H29 (1)

Stoich.:

A3B4C4D25E29 (1)

Weight, g/mol:

495.240103

ΔHf, kcal/mol:

-255.59

Dipole, Da:

9.46

IP(EA), eV:

 -8.32(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-1-[3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]ethanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(=O)N2CCC3C(C2)C(NN3)C(=O)NCC4=CC(=CC=C4)C(F)(F)F)OC

DOS

IR

Vibrations