Geometry & MOs

Info

ID:	251843
PubChem CID:	103107301
Reduced:	ON2F3C13H23 (1)
Stoich.:	AB2C3D13E23 (1)
Weight, g/mol:	276.12224
ΔH_f, kcal/mol:	-239.9
Dipole, Da:	5.08
IP(EA), eV:	-9.08(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1CCC(CC1)C(F)(F)F

DOS

IR

Vibrations