Geometry & MOs

Info

ID:	202919
PubChem CID:	79745813
Reduced:	BrNOSH12C14 (1)
Stoich.:	ABCDE12F14 (1)
Weight, g/mol:	306.96665
ΔH_f, kcal/mol:	23.27
Dipole, Da:	3.47
IP(EA), eV:	-9.45(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)C=CC=N2)C(=O)C3=CC=C(S3)Br

DOS

IR

Vibrations