Geometry & MOs

Info

ID:

169868

PubChem CID:

75159494

Reduced:

O2F3N4C24H27 (1)

Stoich.:

A2B3C4D24E27 (1)

Weight, g/mol:

506.21409

ΔHf, kcal/mol:

-191.52

Dipole, Da:

5.72

IP(EA), eV:

 -9.17(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-(3,4-dimethoxyphenyl)acetyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC(=O)N2CCC3C(C2)C(NN3)C(=O)NCC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations