Geometry & MOs

Info

ID:	124406
PubChem CID:	50882067
Reduced:	ClO2N4H9C13 (1)
Stoich.:	AB2C4D9E13 (1)
Weight, g/mol:	318.111676
ΔH_f, kcal/mol:	29.67
Dipole, Da:	9.32
IP(EA), eV:	-9.4(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-4-(1,2,4-triazol-4-yl)phenyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1=COC(=C1)C(=O)NC2=C(C=C(C=C2)N3C=NN=C3)Cl

DOS

IR

Vibrations