Geometry & MOs

Info

ID:	371318
PubChem CID:	127345681
Reduced:	O3N4C16H24 (1)
Stoich.:	A3B4C16D24 (1)
Weight, g/mol:	323.119129
ΔH_f, kcal/mol:	-99.63
Dipole, Da:	4.69
IP(EA), eV:	-8.75(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-(oxolan-3-yl)ethanone

Drug info:

PubChemData

Smile

CCC1=C(N=CO1)C(=O)N2CCCC2C(=O)N3CCN(CC3)C

DOS

IR

Vibrations