Geometry & MOs

Info

ID:	23308
PubChem CID:	603044
Reduced:	NO3C20H29 (1)
Stoich.:	AB3C20D29 (1)
Weight, g/mol:	331.214744
ΔH_f, kcal/mol:	-104.25
Dipole, Da:	4.4
IP(EA), eV:	-9.31(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-1,2-benzoxazol-4-yl) dodecanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)OC1=CC=CC2=C1C(=NO2)C

DOS

IR

Vibrations