Geometry & MOs

Info

ID:	284789
PubChem CID:	104071533
Reduced:	N2O3C10H12 (1)
Stoich.:	A2B3C10D12 (1)
Weight, g/mol:	223.041548
ΔH_f, kcal/mol:	-70.71
Dipole, Da:	1.41
IP(EA), eV:	-9.75(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbaldehyde

Drug info:

PubChemData

Smile

C1CN(CC(=O)N1)CC2=CC=C(O2)C=O

DOS

IR

Vibrations