Geometry & MOs

Info

ID:	271071
PubChem CID:	103642748
Reduced:	NOC3H5 (4)
Stoich.:	ABC3D5 (4)
Weight, g/mol:	280.060783
ΔH_f, kcal/mol:	-123.98
Dipole, Da:	6.83
IP(EA), eV:	-10.0(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(5-fluoro-2-nitrophenyl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)OCCCNC(=O)CN1C=C(N=N1)C(=O)OC

DOS

IR

Vibrations