Geometry & MOs

Info

ID:	295948
PubChem CID:	117548479
Reduced:	NO3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	234.125594
ΔH_f, kcal/mol:	-68.35
Dipole, Da:	4.56
IP(EA), eV:	-8.74(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2,4,6-trimethylphenyl)oxetane-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1(COC1)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations