Geometry & MOs

Info

ID:	142129
PubChem CID:	52986733
Reduced:	ON5C11H17 (1)
Stoich.:	AB5C11D17 (1)
Weight, g/mol:	340.164774
ΔH_f, kcal/mol:	3.74
Dipole, Da:	7.61
IP(EA), eV:	-8.92(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(1-benzofuran-2-yl)pyrazolidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide

Drug info:

PubChemData

Smile

CC1C(C(NN1)C)NC(=O)NC2=CN=CC=C2

DOS

IR

Vibrations