Geometry & MOs

Info

ID:	228138
PubChem CID:	87563512
Reduced:	O3N6C22H24 (1)
Stoich.:	A3B6C22D24 (1)
Weight, g/mol:	385.03136
ΔH_f, kcal/mol:	-25.98
Dipole, Da:	5.9
IP(EA), eV:	-8.8(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-bromo-4-ethoxyphenoxy)quinolin-6-yl]acetaldehyde

Drug info:

PubChemData

Smile

CC(CC1=CC=CC=C1)N(C2=NC(=NC=C2C(=O)N)NC3=CC(=CC=C3)NC(=O)C)O

DOS

IR

Vibrations