Geometry & MOs

Info

ID:	425715
PubChem CID:	135127578
Reduced:	NSF3O4H26C30 (1)
Stoich.:	ABC3D4E26F30 (1)
Weight, g/mol:	168.151415
ΔH_f, kcal/mol:	-240.85
Dipole, Da:	2.02
IP(EA), eV:	-8.86(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4Z)-3-(1-propan-2-yloxyethyl)hexa-2,4-diene

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)F)F)OC(=O)NC2=C(SC(=C2)F)C3=CC=C(C=C3)C4=CC=C(C=C4)CCCCC(=O)O

DOS

IR

Vibrations