Geometry & MOs

Info

ID:	328840
PubChem CID:	126728346
Reduced:	FO2S2N5C25H26 (1)
Stoich.:	AB2C2D5E25F26 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-37.93
Dipole, Da:	1.08
IP(EA), eV:	-9.07(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-5-(ethylamino)hex-4-en-3-ylidene]-4-methylidenecyclobutane-1,3-dione

Drug info:

PubChemData

Smile

C1CC(CCC1NCC2=C(C=C(C=C2)F)C3=CC=CS3)NC4NC(=CC=N4)/C=C\5/C(=O)NC(=O)S5

DOS

IR

Vibrations