Geometry & MOs

Info

ID:	16759
PubChem CID:	476484
Reduced:	ON2C15H24 (1)
Stoich.:	AB2C15D24 (1)
Weight, g/mol:	248.188863
ΔH_f, kcal/mol:	-62.24
Dipole, Da:	5.56
IP(EA), eV:	-8.74(1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,9R,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one

Drug info:

PubChemData

Smile

C1C[C@H]2[C@@H]3CCCN4[C@H]3[C@H](CCC4)CN2C(=O)C1

DOS

IR

Vibrations