Geometry & MOs

Info

ID:	160144
PubChem CID:	57304854
Reduced:	Cl2N3O3H21C27 (1)
Stoich.:	A2B3C3D21E27 (1)
Weight, g/mol:	235.154544
ΔH_f, kcal/mol:	-31.22
Dipole, Da:	3.01
IP(EA), eV:	-9.13(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-3-[2-[2-(1H-imidazol-2-yl)ethylamino]ethyl]-2-methylguanidine

Drug info:

PubChemData

Smile

C1C(=NC2=CC=C(C=C2)Cl)CC3=NC4=C(C=CC(=C4)CO)N(C3=C1CC(=O)O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations