Geometry & MOs

Info

ID:	272125
PubChem CID:	103725887
Reduced:	O2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	240.041403
ΔH_f, kcal/mol:	-17.15
Dipole, Da:	4.32
IP(EA), eV:	-8.97(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1CC1C2=CC=C(O2)CCC(=O)NC(C)C3=NC=NN3

DOS

IR

Vibrations