Geometry & MOs

Info

ID:	310401
PubChem CID:	126579805
Reduced:	N3O3C13H13 (1)
Stoich.:	A3B3C13D13 (1)
Weight, g/mol:	873.504451
ΔH_f, kcal/mol:	29.23
Dipole, Da:	5.45
IP(EA), eV:	-9.25(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-dodecyl-5-[5-(4-dodecyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1-methyl-6-methylidene-5-octylthieno[3,4-c]pyrrol-4-one

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)OC#N)COC2=NN(C=C2)O

DOS

IR

Vibrations