Geometry & MOs

Info

ID:	146004
PubChem CID:	53623840
Reduced:	ClN3O3C17H18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	-66.72
Dipole, Da:	6.95
IP(EA), eV:	-9.13(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-hydroxybutyl)piperazin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC=CN1C2CCCN(C2)C(=O)C3=CC4=C(C(=C3)Cl)OCO4

DOS

IR

Vibrations