Geometry & MOs

Info

ID:	38659
PubChem CID:	8137361
Reduced:	ClN2O2C15H17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	376.087078
ΔH_f, kcal/mol:	-53.42
Dipole, Da:	4.91
IP(EA), eV:	-9.56(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3,4-difluorobenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)/C=C/C(=O)NCC(=O)NC2CC2)Cl

DOS

IR

Vibrations