Geometry & MOs

Info

ID:	296274
PubChem CID:	117565045
Reduced:	N2O4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	249.100108
ΔH_f, kcal/mol:	-117.21
Dipole, Da:	2.98
IP(EA), eV:	-10.06(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,5-dimethylphenyl)carbamoyl]oxetane-3-carboxylic acid

Drug info:

PubChemData

Smile

CN(CCC1=CC=NC=C1)C(=O)C2(COC2)C(=O)O

DOS

IR

Vibrations