Geometry & MOs

Info

ID:

186370

PubChem CID:

77425545

Reduced:

FN3O4C33H38 (1)

Stoich.:

AB3C4D33E38 (1)

Weight, g/mol:

599.352321

ΔHf, kcal/mol:

-164.58

Dipole, Da:

5.49

IP(EA), eV:

 -7.92(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-tert-butylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)F)C(=O)N2CCCC(C2C3=CC=C(C=C3)NC4CCCC4)C(=O)NC5=CC(=C(C=C5)OC)OC

DOS

IR

Vibrations