Geometry & MOs

Info

ID:	82466
PubChem CID:	49856065
Reduced:	OSN5C17H19 (1)
Stoich.:	ABC5D17E19 (1)
Weight, g/mol:	311.17461
ΔH_f, kcal/mol:	48.92
Dipole, Da:	4.59
IP(EA), eV:	-8.85(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-1-adamantyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCCNC1)C(=O)C2=C3C(=NC=C2)N=C(N3)C4=CC=CS4

DOS

IR

Vibrations