Geometry & MOs

Info

ID:	426622
PubChem CID:	135153015
Reduced:	O3N4C26H34 (1)
Stoich.:	A3B4C26D34 (1)
Weight, g/mol:	347.070403
ΔH_f, kcal/mol:	-76.65
Dipole, Da:	7.16
IP(EA), eV:	-8.94(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-difluoro-7-(5-fluoroquinoxalin-2-yl)-5,5-dimethylthieno[2,3-c]pyridine

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)OCC(=O)O)NC3=NC=C(C=C3)C#N

DOS

IR

Vibrations