Geometry & MOs

Info

ID:	256556
PubChem CID:	103139887
Reduced:	FON3H10C16 (1)
Stoich.:	ABC3D10E16 (1)
Weight, g/mol:	277.10413
ΔH_f, kcal/mol:	29.37
Dipole, Da:	9.74
IP(EA), eV:	-8.83(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromoethyl)-N-[(5-methyloxolan-2-yl)methyl]butan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C#N)OC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations