Geometry & MOs

Info

ID:	128501
PubChem CID:	51047231
Reduced:	ClNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	352.105922
ΔH_f, kcal/mol:	-36.61
Dipole, Da:	6.0
IP(EA), eV:	-7.95(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-methylphenyl)acetate

Drug info:

PubChemData

Smile

CCOC1=CC=C/C(=C/NC2=C(C=CC=C2Cl)C)/C1=O

DOS

IR

Vibrations