Geometry & MOs

Info

ID:	360418
PubChem CID:	127301063
Reduced:	ON5C23H27 (1)
Stoich.:	AB5C23D27 (1)
Weight, g/mol:	373.179027
ΔH_f, kcal/mol:	52.32
Dipole, Da:	6.27
IP(EA), eV:	-8.89(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylbenzo[g][1]benzofuran-2-yl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C3=C(CCC3)C(=N2)C(=O)N4CCCC(C4)N5C=C(C=N5)C

DOS

IR

Vibrations