Geometry & MOs

Info

ID:	438007
PubChem CID:	135227460
Reduced:	N2H17C28 (2)
Stoich.:	A2B17C28 (2)
Weight, g/mol:	118.059407
ΔH_f, kcal/mol:	276.6
Dipole, Da:	0.97
IP(EA), eV:	-8.84(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-2,5-difluorohexa-2,4-diene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)C4=NC(=CN=C4C5=CC=CC=C53)C6=CC=C(C=C6)C7=CC(=CC=C7)C8=CC9=C(C=C8)C1=NC=C(N=C1C1=CC=CC=C19)C1=CC=CC=C1

DOS

IR

Vibrations