Geometry & MOs

Info

ID:	311271
PubChem CID:	126590116
Reduced:	NO3C8H17 (1)
Stoich.:	AB3C8D17 (1)
Weight, g/mol:	354.09506
ΔH_f, kcal/mol:	-149.5
Dipole, Da:	4.24
IP(EA), eV:	-9.21(1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-methyl-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline

Drug info:

PubChemData

Smile

C[C@H](N1C[C@@H](C[C@H]1COC)O)O

DOS

IR

Vibrations