Geometry & MOs

Info

ID:

430880

PubChem CID:

135170947

Reduced:

FON4C25H27 (1)

Stoich.:

ABC4D25E27 (1)

Weight, g/mol:

428.29514

ΔHf, kcal/mol:

-11.77

Dipole, Da:

6.65

IP(EA), eV:

 -9.14(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-ethyl-N-[(1S,3R)-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)NCC2=CC(=CC=C2)F)C(=O)C3=CC4=C(N3)C=CC(=C4)C#N

DOS

IR

Vibrations