Geometry & MOs

Info

ID:	252664
PubChem CID:	103113094
Reduced:	N2O5C14H16 (1)
Stoich.:	A2B5C14D16 (1)
Weight, g/mol:	317.140927
ΔH_f, kcal/mol:	-115.87
Dipole, Da:	6.05
IP(EA), eV:	-10.36(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 1-(3-ethylsulfonylpropyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)C2(CCC2)C(=O)O

DOS

IR

Vibrations