Geometry & MOs

Info

ID:	252139
PubChem CID:	103109403
Reduced:	N3O3C15H23 (1)
Stoich.:	A3B3C15D23 (1)
Weight, g/mol:	313.094167
ΔH_f, kcal/mol:	-61.25
Dipole, Da:	3.39
IP(EA), eV:	-9.43(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(chloromethyl)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)C(C)(C)C(C)(C)N

DOS

IR

Vibrations