Geometry & MOs

Info

ID:	172180
PubChem CID:	75476370
Reduced:	NO5C18H27 (1)
Stoich.:	AB5C18D27 (1)
Weight, g/mol:	317.083413
ΔH_f, kcal/mol:	-213.43
Dipole, Da:	5.5
IP(EA), eV:	-9.63(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,5-dimethyl-1,2,4-triazol-3-yl)methyl 5-(5-methylfuran-2-yl)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NCCCCC(=O)OCC1=CC=CC=C1)OCCOC

DOS

IR

Vibrations