Geometry & MOs

Info

ID:	15489
PubChem CID:	442500
Reduced:	NO3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	279.183444
ΔH_f, kcal/mol:	-154.95
Dipole, Da:	3.44
IP(EA), eV:	-8.87(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S,6S,8S,9S)-6,8-dihydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-2-one

Drug info:

PubChemData

Smile

C[C@@]1(C[C@H]2CC(=O)[C@@]34[C@@]2(CCCN3CCC4)[C@H](C1)O)O

DOS

IR

Vibrations