Geometry & MOs

Info

ID:	291799
PubChem CID:	113534678
Reduced:	BrNO5C12H14 (1)
Stoich.:	ABC5D12E14 (1)
Weight, g/mol:	251.199762
ΔH_f, kcal/mol:	-118.57
Dipole, Da:	6.07
IP(EA), eV:	-9.94(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(ethylamino)-2-methoxypentyl]-4-methylpyridin-2-amine

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=CC(=C1)Br)[N+](=O)[O-])OCC(C)(C)O

DOS

IR

Vibrations