Geometry & MOs

Info

ID:	127666
PubChem CID:	51010608
Reduced:	NOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	452.313789
ΔH_f, kcal/mol:	-9.16
Dipole, Da:	3.36
IP(EA), eV:	-8.4(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,5S,6S,7R,10S,11R,14R,15S,16R)-2,6,11,15-tetramethyl-5,14-dipropyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]2CC3=C([C@@]1(CCCN2C)C)C=C(C=C3)O

DOS

IR

Vibrations