Geometry & MOs

Info

ID:	380858
PubChem CID:	134971432
Reduced:	NO3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	-133.91
Dipole, Da:	1.66
IP(EA), eV:	-9.11(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,7S,9R,13R)-5,5,9-trimethyl-3-oxatricyclo[5.5.1.04,13]tridecane-2,8-dione

Drug info:

PubChemData

Smile

CC1(N([C@@H](CO1)C=CC2=CC=CC=C2)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations