Geometry & MOs

Info

ID:	49152
PubChem CID:	11528766
Reduced:	NO4H11C12 (1)
Stoich.:	AB4C11D12 (1)
Weight, g/mol:	233.105193
ΔH_f, kcal/mol:	-142.96
Dipole, Da:	4.98
IP(EA), eV:	-9.26(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)CC1=C(C2=CC=CC=C2N1)C(=O)O

DOS

IR

Vibrations