Geometry & MOs

Info

ID:	242889
PubChem CID:	99213641
Reduced:	O3N6H22C23 (1)
Stoich.:	A3B6C22D23 (1)
Weight, g/mol:	410.166414
ΔH_f, kcal/mol:	32.99
Dipole, Da:	6.55
IP(EA), eV:	-8.96(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,6-trimethyl-N-[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC2=NN(N=N2)CC(=O)NCC3=CC=C(C=C3)CN4C=CC=CC4=O

DOS

IR

Vibrations