Geometry & MOs

Info

ID:	370641
PubChem CID:	127339800
Reduced:	ClO2N3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	365.210327
ΔH_f, kcal/mol:	-20.59
Dipole, Da:	0.94
IP(EA), eV:	-9.08(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C3=C(C4=C(O3)C(=CC=C4)Cl)C

DOS

IR

Vibrations