Geometry & MOs

Info

ID:	317400
PubChem CID:	126637244
Reduced:	O3C12H13 (2)
Stoich.:	A3B12C13 (2)
Weight, g/mol:	342.03678
ΔH_f, kcal/mol:	-215.24
Dipole, Da:	7.16
IP(EA), eV:	-8.96(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-N-[(4-methoxyphenyl)methyl]quinolin-2-amine

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)OCC(COC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=CC=C3)O

DOS

IR

Vibrations