Geometry & MOs

Info

ID:	10726
PubChem CID:	107395
Reduced:	NOC23H39 (1)
Stoich.:	ABC23D39 (1)
Weight, g/mol:	345.303165
ΔH_f, kcal/mol:	-94.41
Dipole, Da:	3.13
IP(EA), eV:	-8.52(2.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5S,6R,9R,12S,13S,16S,18S)-N,N,6,13-tetramethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosan-16-amine

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)N(C)C)C)CO1

DOS

IR

Vibrations