Geometry & MOs

Info

ID:	441950
PubChem CID:	135246951
Reduced:	FN3C25H28 (1)
Stoich.:	AB3C25D28 (1)
Weight, g/mol:	160.10342
ΔH_f, kcal/mol:	17.69
Dipole, Da:	3.27
IP(EA), eV:	-9.66(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N'-ethyl-1-N'-(2-methylsulfanylethenyl)ethane-1,1-diamine

Drug info:

PubChemData

Smile

CCCC(=C)CCC1=NC=C(C=N1)CC2=C(C=CC=N2)C3=C(C=C(C=C3)F)CC

DOS

IR

Vibrations