Geometry & MOs

Info

ID:	27906
PubChem CID:	824099
Reduced:	OS2N3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	204.064726
ΔH_f, kcal/mol:	19.27
Dipole, Da:	3.11
IP(EA), eV:	-8.75(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CSC1=NC2=C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C(=O)N1

DOS

IR

Vibrations