Geometry & MOs

Info

ID:	228112
PubChem CID:	87563472
Reduced:	O2N5H23C24 (1)
Stoich.:	A2B5C23D24 (1)
Weight, g/mol:	398.06299
ΔH_f, kcal/mol:	96.93
Dipole, Da:	3.64
IP(EA), eV:	-8.52(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-bromo-4-(propan-2-ylamino)phenoxy]quinolin-6-yl]acetaldehyde

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(C=C(C=N2)C3=CC=C(C=C3)C#CC4=CN=CC=C4)C(=O)NO

DOS

IR

Vibrations