Geometry & MOs

Info

ID:	406083
PubChem CID:	135076462
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	332.235145
ΔH_f, kcal/mol:	-8.41
Dipole, Da:	0.56
IP(EA), eV:	-8.6(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,4R,6S,8S,15S,16S)-2,16-dimethyl-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-15-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1CN1C2=CC=C(C=C2)OC

DOS

IR

Vibrations