Geometry & MOs

Info

ID:

430881

PubChem CID:

135170948

Reduced:

FON4C25H37 (1)

Stoich.:

ABC4D25E37 (1)

Weight, g/mol:

428.29514

ΔHf, kcal/mol:

-51.2

Dipole, Da:

3.7

IP(EA), eV:

-8.54(0.23)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-ethyl-N-[3-[[(2E,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]amino]cyclohexyl]-4-[(E)-2-fluoroprop-1-enyl]-5-methyl-1H-imidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NC/C(=C/C)/C=C\C(=C)C)C(=O)C2=NC(=C(N2)C)/C=C(\C)/F

DOS

IR

Vibrations