Geometry & MOs

Info

ID:	380332
PubChem CID:	134970742
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-116.45
Dipole, Da:	4.55
IP(EA), eV:	-10.32(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S,9R,10S)-15-azatetracyclo[7.5.2.01,10.04,9]hexadecane-5,13,16-trione

Drug info:

PubChemData

Smile

CC(=O)CC[C@@H]1C(=O)CC[C@H]2[C@]1(CCCC2=O)C#N

DOS

IR

Vibrations