Geometry & MOs

Info

ID:

437198

PubChem CID:

135215770

Reduced:

N2O2C17H30 (1)

Stoich.:

A2B2C17D30 (1)

Weight, g/mol:

588.207228

ΔHf, kcal/mol:

-100.73

Dipole, Da:

4.13

IP(EA), eV:

 -8.9(0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S)-1-[3-[3-(aminomethyl)-4-fluorophenyl]pyridin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCC(C)C1CCCN(C1)C(=O)/C=C/CN2CCOCC2

DOS

IR

Vibrations