Geometry & MOs

Info

ID:	145961
PubChem CID:	53618409
Reduced:	SN2O2C24H26 (1)
Stoich.:	AB2C2D24E26 (1)
Weight, g/mol:	332.209993
ΔH_f, kcal/mol:	-32.84
Dipole, Da:	1.8
IP(EA), eV:	-8.52(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dihydro-2-benzofuran-5-yl-[4-(2-hydroxy-3,3-dimethylbutyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CCCNC(=O)C2=CSC=C2)CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations