Geometry & MOs

Info

ID:	349172
PubChem CID:	127274898
Reduced:	ON3C9H13 (2)
Stoich.:	AB3C9D13 (2)
Weight, g/mol:	305.123637
ΔH_f, kcal/mol:	-27.87
Dipole, Da:	5.78
IP(EA), eV:	-9.49(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)CN2C=NN=N2)C(=O)C3C4CC5CC(C4)CC3C5

DOS

IR

Vibrations