Geometry & MOs

Info

ID:	69605
PubChem CID:	47205014
Reduced:	OSN3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	289.061804
ΔH_f, kcal/mol:	8.75
Dipole, Da:	4.57
IP(EA), eV:	-9.11(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3-methyl-N-(1H-pyrazol-5-ylmethyl)-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)CCCC(=O)NCC2=CC=NN2

DOS

IR

Vibrations