Geometry & MOs

Info

ID:	336368
PubChem CID:	127255375
Reduced:	NO14C55H101 (1)
Stoich.:	AB14C55D101 (1)
Weight, g/mol:	249.100108
ΔH_f, kcal/mol:	-770.33
Dipole, Da:	4.63
IP(EA), eV:	-8.86(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-acetyloxyazetidine-1-carboxylate

Drug info:

Smile

CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](O[C@H](C[C@@]1(C)OC)O[C@H]2[C@@H]([C@H]([C@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]2C)CC)(C)O)O)C)C)(C)O)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)C

DOS

IR

Vibrations