Geometry & MOs

Info

ID:

185023

PubChem CID:

77241623

Reduced:

Cl2O5N9C28H29 (1)

Stoich.:

A2B5C9D28E29 (1)

Weight, g/mol:

540.21219

ΔHf, kcal/mol:

-81.0

Dipole, Da:

10.15

IP(EA), eV:

 -8.91(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)C2=C(NC(=N2)C(CC(=O)N3CCOCC3)NC(=O)CCC4=C(C=CC(=C4)Cl)N5C=NN=N5)Cl)C(=O)O

DOS

IR

Vibrations