Geometry & MOs

Info

ID:	318484
PubChem CID:	126651501
Reduced:	BrN2O2C9H13 (1)
Stoich.:	AB2C2D9E13 (1)
Weight, g/mol:	361.01749
ΔH_f, kcal/mol:	-38.66
Dipole, Da:	2.63
IP(EA), eV:	-8.89(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-(iodomethyl)-3-(phenylmethoxymethyl)azetidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)OCC#CBr

DOS

IR

Vibrations