Geometry & MOs

Info

ID:	2220
PubChem CID:	6312
Reduced:	SCl2O4N6C20H30 (1)
Stoich.:	AB2C4D6E20F30 (1)
Weight, g/mol:	520.14263
ΔH_f, kcal/mol:	-118.07
Dipole, Da:	11.58
IP(EA), eV:	-8.83(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chlorophenyl)methyl]-2,3-dimethylguanidine;sulfuric acid

Drug info:

PubChemData

Smile

CNC(=NC)NCC1=CC=CC=C1Cl.CNC(=NC)NCC1=CC=CC=C1Cl.OS(=O)(=O)O

DOS

IR

Vibrations