Geometry & MOs

Info

ID:	336519
PubChem CID:	127255526
Reduced:	OC8H8 (2)
Stoich.:	AB8C8 (2)
Weight, g/mol:	534.125812
ΔH_f, kcal/mol:	-58.07
Dipole, Da:	1.52
IP(EA), eV:	-9.24(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[5-[5-[5-[2-[4-(dimethylamino)phenyl]ethynyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethynyl]-N,N-dimethylaniline

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CC=CC(=C2)COC(=O)C

DOS

IR

Vibrations