Geometry & MOs

Info

ID:	327900
PubChem CID:	126691269
Reduced:	ON8H18C19 (1)
Stoich.:	AB8C18D19 (1)
Weight, g/mol:	336.125612
ΔH_f, kcal/mol:	130.92
Dipole, Da:	5.15
IP(EA), eV:	-9.9(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-amino-4,6-dimethylpyrimidin-2-ylidene)amino]-6-ethyl-4-methylbenzenesulfonic acid

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)C#N)CN5C=NN=N5

DOS

IR

Vibrations