Geometry & MOs

Info

ID:	49340
PubChem CID:	11532874
Reduced:	N2O5C27H36 (1)
Stoich.:	A2B5C27D36 (1)
Weight, g/mol:	468.273656
ΔH_f, kcal/mol:	-231.06
Dipole, Da:	7.08
IP(EA), eV:	-8.84(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1R,5S)-8-(3-acetamido-2-hydroxypropyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@]1(CCC(=O)N2[C@H]1C3=C(CC2)C4=CC=CC=C4N3C(=O)OC(C)(C)C)CCC(=O)OCC

DOS

IR

Vibrations