Geometry & MOs

Info

ID:	269688
PubChem CID:	103618644
Reduced:	INO2C16H24 (1)
Stoich.:	ABC2D16E24 (1)
Weight, g/mol:	288.041403
ΔH_f, kcal/mol:	-60.96
Dipole, Da:	5.59
IP(EA), eV:	-9.05(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[2-(triazol-1-yl)phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)N(CCOC)C(=O)C1=CC=CC(=C1I)C

DOS

IR

Vibrations