Geometry & MOs

Info

ID:	312746
PubChem CID:	126607707
Reduced:	NO2C20H21 (1)
Stoich.:	AB2C20D21 (1)
Weight, g/mol:	365.181336
ΔH_f, kcal/mol:	-50.0
Dipole, Da:	3.44
IP(EA), eV:	-8.52(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-methylbutan-2-yloxy)phenyl]-1-propan-2-ylquinoline-2-thione

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C(=C1)C)C2=CC3=CC=CC=C3N(C2=O)C)C

DOS

IR

Vibrations