Geometry & MOs

Info

ID:	179491
PubChem CID:	76490584
Reduced:	O2N4C12H23 (1)
Stoich.:	A2B4C12D23 (1)
Weight, g/mol:	333.033876
ΔH_f, kcal/mol:	-34.4
Dipole, Da:	2.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.772338
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-N-(1-thiophen-2-ylethyl)-1,3,4-oxadiazole-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)[N+]2(CCNCC2C(=O)N)C(=O)N

DOS

IR

Vibrations