Geometry & MOs

Info

ID:	252686
PubChem CID:	103113238
Reduced:	O3N4C14H20 (1)
Stoich.:	A3B4C14D20 (1)
Weight, g/mol:	282.132805
ΔH_f, kcal/mol:	-69.47
Dipole, Da:	4.82
IP(EA), eV:	-9.68(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 5-methyl-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2C(=C(N=N2)C(=O)OCC(C)C)C)C

DOS

IR

Vibrations