Geometry & MOs

Info

ID:	347885
PubChem CID:	127272947
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	363.252192
ΔH_f, kcal/mol:	-118.99
Dipole, Da:	5.35
IP(EA), eV:	-8.9(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN(C1CCCC2=CC=CC=C12)C(=O)CN3CCN(CC3)C(=O)C4CCCO4

DOS

IR

Vibrations