Geometry & MOs

Info

ID:

190635

PubChem CID:

78035387

Reduced:

NO2C19H27 (2)

Stoich.:

AB2C19D27 (2)

Weight, g/mol:

572.214759

ΔHf, kcal/mol:

-183.9

Dipole, Da:

6.01

IP(EA), eV:

 -8.91(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[1-[[2-(3-cyano-4,5-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]pyridin-3-yl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CC(C)CCCOC1=CC=CC(=C1)C2=NC3(CCC(CC3)C(C)(C)C)N(C2=O)C(CCC(C)(C)C)C4=CC=C(C=C4)C(=O)O

DOS

IR

Vibrations