Geometry & MOs

Info

ID:	217061
PubChem CID:	85087179
Reduced:	N4O5C14H24 (1)
Stoich.:	A4B5C14D24 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-230.93
Dipole, Da:	10.49
IP(EA), eV:	-9.61(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxyethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrrolo[2,3-b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CNC(=O)C(NC(=O)C(NC1=O)CCC(=O)O)CCCCN

DOS

IR

Vibrations