Geometry & MOs

Info

ID:	127960
PubChem CID:	51024915
Reduced:	NO5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	306.194343
ΔH_f, kcal/mol:	-217.57
Dipole, Da:	1.84
IP(EA), eV:	-10.51(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1R,2S,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)N1C(=O)[C@@H]2[C@H]3CC[C@H]([C@@H]2C1=O)O3

DOS

IR

Vibrations