Geometry & MOs

Info

ID:	251883
PubChem CID:	103107559
Reduced:	OSN3C10H17 (1)
Stoich.:	ABC3D10E17 (1)
Weight, g/mol:	277.086269
ΔH_f, kcal/mol:	-18.49
Dipole, Da:	4.36
IP(EA), eV:	-9.2(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCC1=NC=CS1

DOS

IR

Vibrations