Geometry & MOs

Info

ID:	127512
PubChem CID:	51004451
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	292.203845
ΔH_f, kcal/mol:	-55.87
Dipole, Da:	2.59
IP(EA), eV:	-10.2(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,6R,7S,8S,9S)-9-(3-hydroxypropyl)-3-methyl-6-propan-2-yl-12-oxatricyclo[6.3.1.02,7]dodec-3-en-10-one

Drug info:

PubChemData

Smile

CCN1C(=O)[C@@H]2[C@@H]3CC[C@H]([C@H]2C1=O)C=C3

DOS

IR

Vibrations