Geometry & MOs

Info

ID:	441743
PubChem CID:	135243077
Reduced:	ClNOF4H12C16 (1)
Stoich.:	ABCD4E12F16 (1)
Weight, g/mol:	174.104465
ΔH_f, kcal/mol:	-204.5
Dipole, Da:	2.46
IP(EA), eV:	-9.71(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,3Z)-3-[(Z)-prop-1-enyl]-2-prop-2-enylidenehexa-3,5-dienal

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)C2=NC=C(C(=C2)Cl)C(=C)C)OC(F)(F)F

DOS

IR

Vibrations