Geometry & MOs

Info

ID:	433823
PubChem CID:	135173966
Reduced:	SF3O3N7C27H30 (1)
Stoich.:	AB3C3D7E27F30 (1)
Weight, g/mol:	258.230728
ΔH_f, kcal/mol:	-156.99
Dipole, Da:	6.71
IP(EA), eV:	-8.38(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(2-aminoprop-2-enoxy)propoxy]-N,3,3-trimethylpentan-1-amine

Drug info:

PubChemData

Smile

CCC/C=C\1/C(=C(/N)\N=C(/C)\NC2=C(C=C(C=C2)S(=O)(=O)C)F)/N(C(=O)N1C(C)C)C3=CC(=C(C4=C3C=NN4)F)F

DOS

IR

Vibrations