Geometry & MOs

Info

ID:	245918
PubChem CID:	103028024
Reduced:	ON4C13H20 (1)
Stoich.:	AB4C13D20 (1)
Weight, g/mol:	274.113984
ΔH_f, kcal/mol:	3.25
Dipole, Da:	4.74
IP(EA), eV:	-9.18(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C(CCC2=CC=NN2C)O

DOS

IR

Vibrations