Geometry & MOs

Info

ID:	370871
PubChem CID:	127341169
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	355.225977
ΔH_f, kcal/mol:	-111.83
Dipole, Da:	6.56
IP(EA), eV:	-9.2(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-3-phenylpiperazin-2-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCN(CC2)C(=O)CN3CCNC(=O)C3C4=CC=CC=C4

DOS

IR

Vibrations