Geometry & MOs

Info

ID:	324344
PubChem CID:	126677476
Reduced:	OF2N6H16C22 (1)
Stoich.:	AB2C6D16E22 (1)
Weight, g/mol:	236.159872
ΔH_f, kcal/mol:	26.09
Dipole, Da:	4.03
IP(EA), eV:	-8.95(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,7E)-1-butylsulfanyl-3,6-dimethylidenenona-1,7-diene

Drug info:

PubChemData

Smile

COC1=CC2=NC=CC(=C2C=C1)NC3=NC(=NN4C3=CC=C4)C5=NC(=CC=C5)C(F)F

DOS

IR

Vibrations