Geometry & MOs

Info

ID:	141872
PubChem CID:	52943600
Reduced:	O3C13H20 (4)
Stoich.:	A3B13C20 (4)
Weight, g/mol:	603.413503
ΔH_f, kcal/mol:	-522.02
Dipole, Da:	4.52
IP(EA), eV:	-10.09(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

Smile

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC5(C4)OOC6(CC[C@]7([C@@H](C6)CC[C@@H]8[C@@H]7C[C@@H]([C@]9([C@H]8CC[C@@H]9[C@H](C)CCC(=O)O)C)OC(=O)C)C)OO5)C)OC(=O)C)C

DOS

IR

Vibrations