Geometry & MOs

Info

ID:	303281
PubChem CID:	124489454
Reduced:	N2O4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	-161.64
Dipole, Da:	2.48
IP(EA), eV:	-9.51(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-benzyl 1-O-tert-butyl (2R,3R)-2-(aminomethyl)azetidine-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H]([C@@H]1CN)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations