Geometry & MOs

Info

ID:	60163
PubChem CID:	26675809
Reduced:	ClNO5H16C19 (1)
Stoich.:	ABC5D16E19 (1)
Weight, g/mol:	384.132136
ΔH_f, kcal/mol:	-118.51
Dipole, Da:	4.48
IP(EA), eV:	-8.99(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-3-methoxyphenyl]ethanone

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)OC)OCC2=NC=C(O2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations