Geometry & MOs

Info

ID:	303280
PubChem CID:	124489453
Reduced:	NO3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	-97.44
Dipole, Da:	8.11
IP(EA), eV:	-10.7(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C(=O)C1=CC=CC=N1)C(=O)O

DOS

IR

Vibrations