Geometry & MOs

Info

ID:	37200
PubChem CID:	8018217
Reduced:	NO2C21H25 (1)
Stoich.:	AB2C21D25 (1)
Weight, g/mol:	395.111735
ΔH_f, kcal/mol:	-60.2
Dipole, Da:	5.1
IP(EA), eV:	-9.17(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-cyanobenzoate

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

DOS

IR

Vibrations