Geometry & MOs

Info

ID:	252876
PubChem CID:	103114733
Reduced:	N2O5C14H14 (1)
Stoich.:	A2B5C14D14 (1)
Weight, g/mol:	288.12224
ΔH_f, kcal/mol:	-75.51
Dipole, Da:	6.93
IP(EA), eV:	-10.02(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 5-methyl-1-[2-(methylamino)-2-oxoethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNCC2=CC=C(O2)C(=O)O

DOS

IR

Vibrations