Geometry & MOs

Info

ID:	15236
PubChem CID:	434181
Reduced:	NO5C18H27 (1)
Stoich.:	AB5C18D27 (1)
Weight, g/mol:	337.188923
ΔH_f, kcal/mol:	-192.95
Dipole, Da:	1.46
IP(EA), eV:	-9.2(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[11-hydroxy-1,5-dimethyl-10-(methylamino)spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)NC)O)C)COC(=O)C

DOS

IR

Vibrations