Geometry & MOs

Info

ID:

322293

PubChem CID:

126669617

Reduced:

O2N3C36H41 (1)

Stoich.:

A2B3C36D41 (1)

Weight, g/mol:

605.322912

ΔHf, kcal/mol:

-33.39

Dipole, Da:

7.5

IP(EA), eV:

 -8.32(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-N-(3-tert-butylphenyl)-1-(2-methylbenzoyl)-2-[4-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2C=C1)C(=O)N3CCCC(C3C4=CC=C(C=C4)N(C)C)C(=O)NC5=CC=CC(=C5)C(C)(C)C

DOS

IR

Vibrations