Geometry & MOs

Info

ID:	56237
PubChem CID:	17422756
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	370.109962
ΔH_f, kcal/mol:	-86.76
Dipole, Da:	4.56
IP(EA), eV:	-8.52(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylfuran-3-yl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CCOCC1=CC=C(O1)C(=O)NC2=CC(=C(C=C2)C)C

DOS

IR

Vibrations