Geometry & MOs

Info

ID:	370640
PubChem CID:	127339799
Reduced:	ON6C17H20 (1)
Stoich.:	AB6C17D20 (1)
Weight, g/mol:	371.140055
ΔH_f, kcal/mol:	68.67
Dipole, Da:	4.12
IP(EA), eV:	-9.08(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-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=C4N=CC=CN4N=C3

DOS

IR

Vibrations