Geometry & MOs

Info

ID:	447456
PubChem CID:	135283020
Reduced:	BrNO3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	403.187147
ΔH_f, kcal/mol:	-111.22
Dipole, Da:	4.42
IP(EA), eV:	-9.37(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-5-[5-quinolin-4-yl-3-(trifluoromethyl)pyridin-2-yl]oxypentan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)ON(C(=O)O)C(C)(C)CC(C)C

DOS

IR

Vibrations