Geometry & MOs

Info

ID:	394409
PubChem CID:	135022922
Reduced:	O11C55H58 (1)
Stoich.:	A11B55C58 (1)
Weight, g/mol:	189.115364
ΔH_f, kcal/mol:	-299.0
Dipole, Da:	2.84
IP(EA), eV:	-9.14(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(2-phenylethylideneamino)but-2-en-2-ol

Drug info:

PubChemData

Smile

CO[C@@H]1C(C([C@H]2C(O1)COC(O2)C3=CC=CC=C3)O[C@H]4C(C([C@@H](C(O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9

DOS

IR

Vibrations