Geometry & MOs

Info

ID:	187052
PubChem CID:	77526476
Reduced:	ON4C27H32 (1)
Stoich.:	AB4C27D32 (1)
Weight, g/mol:	409.08887
ΔH_f, kcal/mol:	53.13
Dipole, Da:	9.61
IP(EA), eV:	-8.33(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-bromo-2-(hydroxymethyl)-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=C2C(=C1C#N)N=C(O2)C(C)(C)C)N3CCC(C3)N(C)C)C=CC4=CC=CC=C4

DOS

IR

Vibrations