Geometry & MOs

Info

ID:	365829
PubChem CID:	127318703
Reduced:	OSN4C17H24 (1)
Stoich.:	ABC4D17E24 (1)
Weight, g/mol:	297.147727
ΔH_f, kcal/mol:	-8.13
Dipole, Da:	2.11
IP(EA), eV:	-9.24(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dihydro-2-benzofuran-5-yl-[2-(1H-pyrazol-4-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)N2CCCCC2C3=CNN=C3

DOS

IR

Vibrations