Geometry & MOs

Info

ID:	288221
PubChem CID:	104313702
Reduced:	SBr2N2C12H12 (1)
Stoich.:	AB2C2D12E12 (1)
Weight, g/mol:	341.05276
ΔH_f, kcal/mol:	67.53
Dipole, Da:	3.78
IP(EA), eV:	-9.14(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-N-methyl-2-quinolin-4-ylethanamine

Drug info:

PubChemData

Smile

CNC(CC1=CC=C(S1)Br)C2=C(C=CC=N2)Br

DOS

IR

Vibrations