Geometry & MOs

Info

ID:	192186
PubChem CID:	78237406
Reduced:	SN3O3C19H21 (1)
Stoich.:	AB3C3D19E21 (1)
Weight, g/mol:	272.188863
ΔH_f, kcal/mol:	-40.54
Dipole, Da:	2.85
IP(EA), eV:	-9.46(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[butyl(methyl)amino]methyl]-2,8-dimethyl-3H-quinolin-4-one

Drug info:

PubChemData

Smile

CCCCNS(=O)(=O)C1=C(C=CC(=C1)C2C3=CC=CC=C3C(=O)N=N2)C

DOS

IR

Vibrations