Geometry & MOs

Info

ID:	252632
PubChem CID:	103112806
Reduced:	NO2C4H5 (3)
Stoich.:	AB2C4D5 (3)
Weight, g/mol:	303.125277
ΔH_f, kcal/mol:	-167.05
Dipole, Da:	3.13
IP(EA), eV:	-10.32(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 1-(2-ethylsulfonylethyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations