Geometry & MOs

Info

ID:	379014
PubChem CID:	134228882
Reduced:	BrCl2N2O2H19C20 (1)
Stoich.:	AB2C2D2E19F20 (1)
Weight, g/mol:	216.126263
ΔH_f, kcal/mol:	-18.96
Dipole, Da:	3.96
IP(EA), eV:	-9.54(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-methyl-4-(1-pyridin-3-ylethylideneamino)penta-1,3-dien-2-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N1CC2=C(C=CC(=C2)Cl)Cl)/C(=C/C(=C\C)/Br)/C=C

DOS

IR

Vibrations