Geometry & MOs

Info

ID:	127472
PubChem CID:	51003410
Reduced:	NO4C7H15 (1)
Stoich.:	AB4C7D15 (1)
Weight, g/mol:	244.109944
ΔH_f, kcal/mol:	-193.49
Dipole, Da:	5.71
IP(EA), eV:	-9.65(1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S,9S,10R,12S)-4,9-dimethyl-5-oxo-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-1(13),3-diene-13-carbaldehyde

Drug info:

PubChemData

Smile

C1[C@H]([C@H]([C@@](CN1)(CCO)O)O)O

DOS

IR

Vibrations