Geometry & MOs

Info

ID:	199928
PubChem CID:	79318110
Reduced:	NO2F3C12H16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	251.101839
ΔH_f, kcal/mol:	-284.99
Dipole, Da:	3.52
IP(EA), eV:	-10.78(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]tetrazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1C(=O)NC(=O)CC12CCC(CC2)C(F)(F)F

DOS

IR

Vibrations