Geometry & MOs

Info

ID:	77518
PubChem CID:	49649919
Reduced:	O3N5C16H17 (1)
Stoich.:	A3B5C16D17 (1)
Weight, g/mol:	283.120843
ΔH_f, kcal/mol:	-18.82
Dipole, Da:	4.46
IP(EA), eV:	-9.69(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclobutanecarbonyl)-4-(2,3-dihydro-1-benzofuran-5-yl)-3-oxobutanenitrile

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)C(C#N)C(=O)C3CCC3

DOS

IR

Vibrations