Geometry & MOs

Info

ID:	370688
PubChem CID:	127339877
Reduced:	SO3N4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	373.179027
ΔH_f, kcal/mol:	-67.87
Dipole, Da:	9.38
IP(EA), eV:	-8.9(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylbenzo[g][1]benzofuran-2-yl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)N4CCCS4(=O)=O

DOS

IR

Vibrations