Geometry & MOs

Info

ID:	447459
PubChem CID:	135283033
Reduced:	BrN2O2C8H9 (1)
Stoich.:	AB2C2D8E9 (1)
Weight, g/mol:	387.151368
ΔH_f, kcal/mol:	-76.94
Dipole, Da:	6.68
IP(EA), eV:	-9.87(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-chloro-6-(7-fluoroquinolin-4-yl)pyridin-3-yl]oxy-2,4-dimethylpentan-2-amine

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)CNC(=O)O)Br

DOS

IR

Vibrations