Geometry & MOs

Info

ID:	202918
PubChem CID:	79745664
Reduced:	NOSC15H19 (1)
Stoich.:	ABCD15E19 (1)
Weight, g/mol:	320.9823
ΔH_f, kcal/mol:	-29.95
Dipole, Da:	2.06
IP(EA), eV:	-8.73(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromothiophen-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(C1)SCC(=O)C2CCC3=C2N=CC=C3

DOS

IR

Vibrations