Geometry & MOs

Info

ID:	370600
PubChem CID:	127339738
Reduced:	O3N4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-79.56
Dipole, Da:	4.49
IP(EA), eV:	-8.96(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(CC2)C(=O)C3=CC4=C(CCCC4=O)NC3=O

DOS

IR

Vibrations