Geometry & MOs

Info

ID:	360171
PubChem CID:	127300787
Reduced:	SO3N5C18H29 (1)
Stoich.:	AB3C5D18E29 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	-100.19
Dipole, Da:	5.79
IP(EA), eV:	-9.18(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCCCC1C(=O)N2CCC(CC2)NC3=NN=CC=C3

DOS

IR

Vibrations