Geometry & MOs

Info

ID:	70780
PubChem CID:	48413861
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	289.061804
ΔH_f, kcal/mol:	-26.25
Dipole, Da:	7.51
IP(EA), eV:	-9.17(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCCC4=N3

DOS

IR

Vibrations