Geometry & MOs

Info

ID:	157517
PubChem CID:	56435394
Reduced:	O3N5C22H35 (1)
Stoich.:	A3B5C22D35 (1)
Weight, g/mol:	371.200905
ΔH_f, kcal/mol:	-147.98
Dipole, Da:	7.15
IP(EA), eV:	-9.08(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-ditert-butylpyrazol-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)CCN2C(=O)C3(CCCCC3)NC2=O)C(C)(C)C

DOS

IR

Vibrations