Geometry & MOs

Info

ID:	82309
PubChem CID:	49855877
Reduced:	OSN5C17H19 (1)
Stoich.:	ABC5D17E19 (1)
Weight, g/mol:	393.162332
ΔH_f, kcal/mol:	42.51
Dipole, Da:	6.88
IP(EA), eV:	-9.06(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-2-adamantyl)-2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide

Drug info:

PubChemData

Smile

C1CCNC(C1)CNC(=O)C2=C3C(=NC=C2)N=C(N3)C4=CC=CS4

DOS

IR

Vibrations