Geometry & MOs

Info

ID:	320527
PubChem CID:	126661582
Reduced:	NF2O2C21H23 (1)
Stoich.:	AB2C2D21E23 (1)
Weight, g/mol:	191.131014
ΔH_f, kcal/mol:	-144.16
Dipole, Da:	6.39
IP(EA), eV:	-8.86(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-[[(Z,3E)-3-ethylidenehex-4-en-2-ylidene]amino]but-2-enal

Drug info:

PubChemData

Smile

CCCNC(=O)/C(=C/C1=C(C(=CC(=C1)OC)C2=CC(=C(C=C2)F)F)C)/C

DOS

IR

Vibrations