Geometry & MOs

Info

ID:	324080
PubChem CID:	126676889
Reduced:	ON2C13H22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	420.17731
ΔH_f, kcal/mol:	-23.44
Dipole, Da:	4.46
IP(EA), eV:	-8.44(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[ethyl-[1-[(3E,5E)-6-(trifluoromethoxy)hepta-1,3,5-trien-3-yl]-1,2,4-triazol-3-yl]amino]methyl]phenyl]ethenol

Drug info:

PubChemData

Smile

CC/C=C(\C(=C/C(=C)C)\C(=O)NC)/N(C)C

DOS

IR

Vibrations