Geometry & MOs

Info

ID:

299018

PubChem CID:

117667643

Reduced:

O2N5C17H19 (1)

Stoich.:

A2B5C17D19 (1)

Weight, g/mol:

701.215825

ΔHf, kcal/mol:

-28.05

Dipole, Da:

2.2

IP(EA), eV:

 -9.03(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S)-3-[6-fluoro-1-(3-hydroxypropyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[3-(trifluoromethyl)pyridin-2-yl]methanone

Drug info:

PubChemData

Smile

CC(=O)C(C1=C(C=NC=C1)C2=CC3=C(N=C2)N(CCC3)C(=O)N)N

DOS

IR

Vibrations