Geometry & MOs

Info

ID:	411575
PubChem CID:	135084407
Reduced:	ON3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	53.2
Dipole, Da:	4.62
IP(EA), eV:	-9.32(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,6R,9E,11S,14S)-4,9,14-trimethyl-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-13-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CC[C@H]([C@@H]2O)N=[N+]=[N-]

DOS

IR

Vibrations