Geometry & MOs

Info

ID:	372502
PubChem CID:	131298881
Reduced:	ClNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	218.069142
ΔH_f, kcal/mol:	-83.57
Dipole, Da:	4.91
IP(EA), eV:	-10.38(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-hydroxyphenyl)-4-methyl-2-oxo-1,3-oxazolidine-4-carbonitrile

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=NC=CC(=C2)Cl)C(=O)O

DOS

IR

Vibrations