Geometry & MOs

Info

ID:	172629
PubChem CID:	75533054
Reduced:	OSN5C16H23 (1)
Stoich.:	ABC5D16E23 (1)
Weight, g/mol:	390.09166
ΔH_f, kcal/mol:	17.3
Dipole, Da:	5.94
IP(EA), eV:	-8.6(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(N'-butylcarbamimidoyl)amino]ethyl]benzamide;hydroiodide

Drug info:

PubChemData

Smile

C1CC1NC(=O)NC2=CC=CC(=C2)CN=C(N)N3CCSCC3

DOS

IR

Vibrations