Geometry & MOs

Info

ID:	144300
PubChem CID:	53346789
Reduced:	ClON2C19H26 (1)
Stoich.:	ABC2D19E26 (1)
Weight, g/mol:	346.99661
ΔH_f, kcal/mol:	-47.21
Dipole, Da:	4.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754822
Charge, e:	-1

Chem-info

IUPAC name:

4-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,4-diamine;bromide

Drug info:

PubChemData

Smile

CC1(CC2=CC=CC=C2/C(=C/C(=O)N3CCCCCC3)/N1)C.[Cl-]

DOS

IR

Vibrations