Geometry & MOs

Info

ID:	352870
PubChem CID:	127283960
Reduced:	ON3C8H12 (2)
Stoich.:	AB3C8D12 (2)
Weight, g/mol:	322.121195
ΔH_f, kcal/mol:	-24.94
Dipole, Da:	6.16
IP(EA), eV:	-8.91(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)N2CCN(CC2)CC3=NC(=C(O3)C)C)C

DOS

IR

Vibrations