Geometry & MOs

Info

ID:	359321
PubChem CID:	127298362
Reduced:	ON3C10H14 (2)
Stoich.:	AB3C10D14 (2)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-27.99
Dipole, Da:	4.59
IP(EA), eV:	-8.92(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylpiperazin-1-yl)-2-[1-(2-quinolin-8-ylacetyl)piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NN=C2N1C=C(C=C2)C(=O)N3CCC(CC3)CC(=O)N4CCN(CC4)C

DOS

IR

Vibrations