Geometry & MOs

Info

ID:	19977
PubChem CID:	576292
Reduced:	ON5H11C12 (1)
Stoich.:	AB5C11D12 (1)
Weight, g/mol:	241.09636
ΔH_f, kcal/mol:	84.72
Dipole, Da:	3.56
IP(EA), eV:	-9.33(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[furan-2-yl(1,2,4-triazol-1-yl)methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)NC(C2=CC=CO2)N3C=NC=N3

DOS

IR

Vibrations