Geometry & MOs

Info

ID:	447359
PubChem CID:	135282245
Reduced:	BrNF2O3C14H18 (1)
Stoich.:	ABC2D3E14F18 (1)
Weight, g/mol:	349.215413
ΔH_f, kcal/mol:	-216.55
Dipole, Da:	6.25
IP(EA), eV:	-9.4(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-5-(2-methyl-6-quinolin-4-ylpyridin-3-yl)oxypentan-1-amine

Drug info:

PubChemData

Smile

CC(C)CC(C)(COC1=C(C(=C(C=C1)Br)F)F)NC(=O)O

DOS

IR

Vibrations