Geometry & MOs

Info

ID:	54771
PubChem CID:	17389239
Reduced:	BrFOSN2H16C22 (1)
Stoich.:	ABCDE2F16G22 (1)
Weight, g/mol:	252.126263
ΔH_f, kcal/mol:	10.89
Dipole, Da:	3.98
IP(EA), eV:	-9.13(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CSC(=N3)C(=O)NC4=CC=CC=C4F.Br

DOS

IR

Vibrations