Geometry & MOs

Info

ID:	129567
PubChem CID:	51073125
Reduced:	NOC6H8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	293.083413
ΔH_f, kcal/mol:	-65.49
Dipole, Da:	2.36
IP(EA), eV:	-9.69(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylate

Drug info:

PubChemData

Smile

C1COCCC1C(=O)NCC2=CN=CC=C2

DOS

IR

Vibrations