Geometry & MOs

Info

ID:	70936
PubChem CID:	48414067
Reduced:	SN3O3C15H17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	-62.31
Dipole, Da:	5.54
IP(EA), eV:	-9.05(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CSC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations