Geometry & MOs

Info

ID:	410668
PubChem CID:	135083469
Reduced:	N4O5C15H16 (1)
Stoich.:	A4B5C15D16 (1)
Weight, g/mol:	236.116092
ΔH_f, kcal/mol:	-59.39
Dipole, Da:	4.64
IP(EA), eV:	-9.56(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene-4-carboperoxoic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C3=NN(C=N3)C(=O)OO

DOS

IR

Vibrations