Geometry & MOs

Info

ID:	288195
PubChem CID:	104313402
Reduced:	BrON2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	317.05276
ΔH_f, kcal/mol:	-25.52
Dipole, Da:	4.28
IP(EA), eV:	-9.47(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromopyridin-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine

Drug info:

PubChemData

Smile

C1COCCC1CC(C2=C(C=CC=N2)Br)N

DOS

IR

Vibrations