Geometry & MOs

Info

ID:	73720
PubChem CID:	48420084
Reduced:	N3O5H17C18 (1)
Stoich.:	A3B5C17D18 (1)
Weight, g/mol:	276.085855
ΔH_f, kcal/mol:	-153.01
Dipole, Da:	9.09
IP(EA), eV:	-9.39(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 4-methyl-3-nitrobenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC(CNC(=O)NC2=CC3=C(C=C2)C(=O)NC3=O)O

DOS

IR

Vibrations