Geometry & MOs

Info

ID:	299859
PubChem CID:	117714299
Reduced:	NOC9H17 (1)
Stoich.:	ABC9D17 (1)
Weight, g/mol:	716.242105
ΔH_f, kcal/mol:	-55.79
Dipole, Da:	1.84
IP(EA), eV:	-9.35(1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-bis[5-[5-(3-ethylheptyl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole

Drug info:

PubChemData

Smile

C=C(C1CCC(CC1)CN)O

DOS

IR

Vibrations