Geometry & MOs

Info

ID:	5041
PubChem CID:	12498
Reduced:	Cl2N5C11H17 (1)
Stoich.:	A2B5C11D17 (1)
Weight, g/mol:	289.086101
ΔH_f, kcal/mol:	-2.94
Dipole, Da:	4.86
IP(EA), eV:	-9.28(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine;hydrochloride

Drug info:

PubChemData

Smile

CC(C)N=C(N)N=C(N)NC1=CC=C(C=C1)Cl.Cl

DOS

IR

Vibrations