Geometry & MOs

Info

ID:	222186
PubChem CID:	85295105
Reduced:	NOC3H3 (3)
Stoich.:	ABC3D3 (3)
Weight, g/mol:	207.089543
ΔH_f, kcal/mol:	-42.85
Dipole, Da:	1.46
IP(EA), eV:	-9.31(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-3-phenylazetidine-2-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)N=NC(=O)NC1=CC=CC=C1

DOS

IR

Vibrations