Geometry & MOs

Info

ID:	216699
PubChem CID:	85086634
Reduced:	ON3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	293.199094
ΔH_f, kcal/mol:	30.8
Dipole, Da:	3.51
IP(EA), eV:	-8.56(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-oxo-13-azatricyclo[8.2.1.02,7]tridecane-13-carboxylate

Drug info:

PubChemData

Smile

CC1=C2C(=C3C(=N1)CC(CC3=NN)(C)C)C4=CC=CC=C4O2

DOS

IR

Vibrations