Geometry & MOs

Info

ID:

190308

PubChem CID:

77982718

Reduced:

O3F4C34H38 (1)

Stoich.:

A3B4C34D38 (1)

Weight, g/mol:

492.273656

ΔHf, kcal/mol:

-302.98

Dipole, Da:

6.21

IP(EA), eV:

 -9.31(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[1,5-bis(hydroxymethyl)-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)cyclohexa-1,5-dien-1-yl]-5-cyano-1H-imidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(CC(=O)O)C1=C(C(=CC=C1)OCC2=CC(=C(C=C2)C3=C(C=CC(=C3)C(F)F)F)C4CCCC4(C)C)F

DOS

IR

Vibrations