Geometry & MOs

Info

ID:	377871
PubChem CID:	134223936
Reduced:	ON5C36H45 (1)
Stoich.:	AB5C36D45 (1)
Weight, g/mol:	296.072784
ΔH_f, kcal/mol:	49.88
Dipole, Da:	6.26
IP(EA), eV:	-8.22(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,3Z)-3-[(3-chloro-4-fluoroanilino)methylidene]-4-methoxy-5-(methylideneamino)pent-4-en-2-one

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C2C=CN(C2=C1)C(=C)NC)CC3=CC(=NC=C3)NC(=C)C4=CC=C(C=C4)C5CCN(CC5)CC

DOS

IR

Vibrations