Geometry & MOs

Info

ID:	378997
PubChem CID:	134228808
Reduced:	F2O4N8C17H20 (1)
Stoich.:	A2B4C8D17E20 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-110.27
Dipole, Da:	4.66
IP(EA), eV:	-9.01(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2,4-dimethyl-3-(1-pyridin-3-ylethylideneamino)pent-2-enoic acid

Drug info:

PubChemData

Smile

CN1C(=O)N(N=N1)C2=C(C=C(C(=C2)NC3=NC=C(C(=N3)N)F)F)OCCOCCOC

DOS

IR

Vibrations