Geometry & MOs

Info

ID:	297378
PubChem CID:	117616477
Reduced:	NO6C12H15 (1)
Stoich.:	AB6C12D15 (1)
Weight, g/mol:	265.048525
ΔH_f, kcal/mol:	-152.57
Dipole, Da:	6.17
IP(EA), eV:	-10.1(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-difluorophenyl)-1-(2,3-dihydrothiophen-4-yl)triazole

Drug info:

PubChemData

Smile

COCCCOCC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations