Geometry & MOs

Info

ID:	317249
PubChem CID:	126634736
Reduced:	F3C10H12 (2)
Stoich.:	A3B10C12 (2)
Weight, g/mol:	267.137162
ΔH_f, kcal/mol:	-307.67
Dipole, Da:	5.14
IP(EA), eV:	-9.47(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(E)-2-(dimethylamino)prop-1-enyl]-1-ethynylimidazol-4-yl]phenol

Drug info:

PubChemData

Smile

CC/C(=C\C=C(/C(C)C)\C(C1=CC=C(C=C1)C)(C(F)(F)F)C(F)(F)F)/C

DOS

IR

Vibrations