Geometry & MOs

Info

ID:	145968
PubChem CID:	53619203
Reduced:	N2O3C14H22 (1)
Stoich.:	A2B3C14D22 (1)
Weight, g/mol:	346.189257
ΔH_f, kcal/mol:	-135.48
Dipole, Da:	6.47
IP(EA), eV:	-10.09(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(7-methoxy-3-methyl-1-benzofuran-2-yl)methanone

Drug info:

PubChemData

Smile

CCCCC(=O)NC1(CCC2(CC1)OCCO2)C#N

DOS

IR

Vibrations