Geometry & MOs

Info

ID:	152549
PubChem CID:	56311505
Reduced:	ON3C12H16 (2)
Stoich.:	AB3C12D16 (2)
Weight, g/mol:	416.221226
ΔH_f, kcal/mol:	-31.98
Dipole, Da:	4.46
IP(EA), eV:	-8.75(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-quinolin-5-ylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCC(=O)N3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations