Geometry & MOs

Info

ID:	25198
PubChem CID:	620936
Reduced:	OC20H32 (1)
Stoich.:	AB20C32 (1)
Weight, g/mol:	335.085911
ΔH_f, kcal/mol:	-72.72
Dipole, Da:	2.39
IP(EA), eV:	-9.87(2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-chlorobut-2-enyl)-8-methoxy-2-methylquinolin-4-yl] carbamimidothioate

Drug info:

PubChemData

Smile

CC12CCCCC1CCC3C2CCC4(C3CCC45CO5)C

DOS

IR

Vibrations