Geometry & MOs

Info

ID:	73790
PubChem CID:	48420433
Reduced:	FO3N4C15H17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	292.080769
ΔH_f, kcal/mol:	-109.49
Dipole, Da:	2.88
IP(EA), eV:	-10.19(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 5-methoxy-2-nitrobenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NCCCC(=O)OCCN2C=NC=N2)F

DOS

IR

Vibrations