Geometry & MOs

Info

ID:

170992

PubChem CID:

75308613

Reduced:

ClN2O2F3C28H36 (1)

Stoich.:

AB2C2D3E28F36 (1)

Weight, g/mol:

544.218338

ΔHf, kcal/mol:

-256.14

Dipole, Da:

5.69

IP(EA), eV:

 -8.89(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-(4-hydroxy-3,5-dimethyl-4-pyrimidin-5-ylpiperidin-1-yl)methanone;dihydrochloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations