Geometry & MOs

Info

ID:	327721
PubChem CID:	126690883
Reduced:	Br2N3C8H11 (1)
Stoich.:	A2B3C8D11 (1)
Weight, g/mol:	313.04661
ΔH_f, kcal/mol:	54.14
Dipole, Da:	3.81
IP(EA), eV:	-9.06(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(bromomethyl)phenyl]methyl]-4H-quinoline

Drug info:

PubChemData

Smile

C/C(=C\C1=C(N(C=C1Br)N)NC)/Br

DOS

IR

Vibrations