Geometry & MOs

Info

ID:	15480
PubChem CID:	442475
Reduced:	NO2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	263.188529
ΔH_f, kcal/mol:	-117.4
Dipole, Da:	4.35
IP(EA), eV:	-8.78(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,4R,6S,9S)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]2CC(=O)[C@@H]3[C@]24CCCN([C@@]4(C1)O)CCC3

DOS

IR

Vibrations