Geometry & MOs

Info

ID:	359311
PubChem CID:	127298243
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	-113.11
Dipole, Da:	8.34
IP(EA), eV:	-8.9(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[2-(4-methylpyrazol-1-yl)acetyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2N(C1)C(=O)CN3CCN(CC3)C(=O)C4CCC(=O)NC4

DOS

IR

Vibrations