Geometry & MOs

Info

ID:	296275
PubChem CID:	117565062
Reduced:	NO4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	269.045486
ΔH_f, kcal/mol:	-139.47
Dipole, Da:	1.32
IP(EA), eV:	-8.86(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-chloro-4-methylphenyl)carbamoyl]oxetane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C2(COC2)C(=O)O

DOS

IR

Vibrations