Geometry & MOs

Info

ID:	57663
PubChem CID:	22431815
Reduced:	ClO2N3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	401.114234
ΔH_f, kcal/mol:	-16.71
Dipole, Da:	2.33
IP(EA), eV:	-9.71(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=NN=C(O2)CC3=CC(=CC=C3)Cl

DOS

IR

Vibrations