Geometry & MOs

Info

ID:	428546
PubChem CID:	135167631
Reduced:	F3O4H9C19 (1)
Stoich.:	A3B4C9D19 (1)
Weight, g/mol:	314.199428
ΔH_f, kcal/mol:	-222.7
Dipole, Da:	4.87
IP(EA), eV:	-8.65(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[N-(2-hydroxyethyl)-4-[(1E,3Z)-3-[(Z)-2-(methylamino)ethenyl]hexa-1,3,5-trienyl]anilino]ethanol

Drug info:

PubChemData

Smile

C1OC2=C(O1)C3=CC4=C(C=C3C=C2)OC5=CC=CC(=C5C4=O)C(F)(F)F

DOS

IR

Vibrations