Geometry & MOs

Info

ID:	145122
PubChem CID:	53466659
Reduced:	NO7C38H63 (1)
Stoich.:	AB7C38D63 (1)
Weight, g/mol:	141.078979
ΔH_f, kcal/mol:	-376.95
Dipole, Da:	1.26
IP(EA), eV:	-8.62(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-1-yl)butane-1,3-dione

Drug info:

PubChemData

Smile

CCN1CCO[C@H](C1)O[C@H]2CC[C@]34C[C@]35CC[C@@]6([C@H]7[C@@H](C[C@@H](O[C@@H]7[C@@H]([C@]6([C@@H]5CC[C@H]4C2(C)C)C)O)[C@@H](C(C)(C)O)OC(=O)C)C)C

DOS

IR

Vibrations