Geometry & MOs

Info

ID:	370657
PubChem CID:	127339816
Reduced:	ON4C22H26 (1)
Stoich.:	AB4C22D26 (1)
Weight, g/mol:	371.140055
ΔH_f, kcal/mol:	14.96
Dipole, Da:	4.53
IP(EA), eV:	-9.06(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C3=C(N=C4C=CC(=CC4=C3)C)C

DOS

IR

Vibrations