Geometry & MOs

Info

ID:	436934
PubChem CID:	135213099
Reduced:	FSN3O3C28H32 (1)
Stoich.:	ABC3D3E28F32 (1)
Weight, g/mol:	170.178299
ΔH_f, kcal/mol:	-97.62
Dipole, Da:	7.81
IP(EA), eV:	-9.13(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N'-hexylbut-1-ene-1,1-diamine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S(=O)(=O)N2CCCCN3[C@@H](C2)C([C@H]3CO)C4=CC=C(C=C4)C5=CN=C(C(=C5)C)F

DOS

IR

Vibrations