Geometry & MOs

Info

ID:	365946
PubChem CID:	127319233
Reduced:	O3N5C19H33 (1)
Stoich.:	A3B5C19D33 (1)
Weight, g/mol:	394.200491
ΔH_f, kcal/mol:	-150.9
Dipole, Da:	4.43
IP(EA), eV:	-8.56(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-[1-[4-(pyridine-4-carbonylamino)phenyl]ethyl]-8-azabicyclo[3.2.1]octane-8-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(N1CCN2CCN(CC2)C(=O)NCCN3C(=O)CCC3=O)C

DOS

IR

Vibrations