Geometry & MOs

Info

ID:	85878
PubChem CID:	49879855
Reduced:	ClON4H10C11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	313.99627
ΔH_f, kcal/mol:	140.02
Dipole, Da:	3.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.023104
Charge, e:	-1

Chem-info

IUPAC name:

2-imino-5-[(4-methoxyphenyl)methyl]-5H-1,3-thiazol-4-amine;bromide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=CC=C3C(=NON3)C2=N1)C.[Cl-]

DOS

IR

Vibrations