Geometry & MOs

Info

ID:

170991

PubChem CID:

75308612

Reduced:

Cl2F2O2N3C27H37 (1)

Stoich.:

A2B2C2D3E27F37 (1)

Weight, g/mol:

524.241741

ΔHf, kcal/mol:

-232.34

Dipole, Da:

6.15

IP(EA), eV:

 -8.97(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-[4-(4-fluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl]methanone;hydrochloride

Drug info:

PubChemData

Smile

CC1CN(CC(C1(C2=CN=CC=C2)O)C)C(=O)C3CN(CC3C4=C(C=C(C=C4)F)F)C(C)(C)C.Cl.Cl

DOS

IR

Vibrations