Geometry & MOs

Info

ID:	80616
PubChem CID:	49835523
Reduced:	ClON5C24H28 (1)
Stoich.:	ABC5D24E28 (1)
Weight, g/mol:	243.094309
ΔH_f, kcal/mol:	22.22
Dipole, Da:	6.84
IP(EA), eV:	-8.38(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(diaminomethylidene)-1,1-dimethylguanidine;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CN(C)C1CCN(C1)C(=O)C2CCN(C2)C3=CC(=C(C=C3)Cl)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations