Geometry & MOs

Info

ID:	431258
PubChem CID:	135171329
Reduced:	FN5C23H30 (1)
Stoich.:	AB5C23D30 (1)
Weight, g/mol:	380.178316
ΔH_f, kcal/mol:	9.76
Dipole, Da:	5.6
IP(EA), eV:	-8.11(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-methyl-5-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]-6H-thieno[2,3-b]pyridin-4-amine

Drug info:

PubChemData

Smile

CCN(CNC1=NC2=CC=CC=C2N1)[C@H]3CCC[C@H](C3)NCC4=CC(=CC=C4)F

DOS

IR

Vibrations