Geometry & MOs

Info

ID:	387299
PubChem CID:	134984813
Reduced:	S2N3O4C12H17 (1)
Stoich.:	A2B3C4D12E17 (1)
Weight, g/mol:	175.110947
ΔH_f, kcal/mol:	-133.46
Dipole, Da:	6.27
IP(EA), eV:	-9.33(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[amino(benzyl)amino]propanenitrile

Drug info:

PubChemData

Smile

CCNS(=O)(=O)C1=CC2=C(C=C1)N(S(=O)N(C2=O)CC)C

DOS

IR

Vibrations