Geometry & MOs

Info

ID:	394684
PubChem CID:	135023501
Reduced:	O3N7C15H19 (1)
Stoich.:	A3B7C15D19 (1)
Weight, g/mol:	310.156895
ΔH_f, kcal/mol:	28.99
Dipole, Da:	10.59
IP(EA), eV:	-9.19(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'S,6'R,8'R)-2'-phenylmethoxyspiro[oxirane-2,10'-tricyclo[6.2.2.01,6]dodec-11-ene]-9'-one

Drug info:

PubChemData

Smile

CC1(CC(=O)NC2=C(N1)C=CC(=C2)[N+](=O)[O-])C3=NN=NN3C(C)(C)C

DOS

IR

Vibrations