Geometry & MOs

Info

ID:	50388
PubChem CID:	12012915
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	418.99185
ΔH_f, kcal/mol:	-159.98
Dipole, Da:	5.23
IP(EA), eV:	-10.14(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,8S,9R,10S)-4,10-dibromospiro[2-oxa-5-azatricyclo[6.2.1.03,9]undec-3-ene-6,1'-cyclohexane]-5-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)NC12CC3CC(C1)C(=O)OC(C3)C2

DOS

IR

Vibrations