Geometry & MOs

Info

ID:	343284
PubChem CID:	127266457
Reduced:	O4N5C14H15 (1)
Stoich.:	A4B5C14D15 (1)
Weight, g/mol:	358.076743
ΔH_f, kcal/mol:	13.85
Dipole, Da:	11.63
IP(EA), eV:	-8.88(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-4-chloro-5-[[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]methylidene]-N-phenyl-1,3-thiazol-2-imine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NN/C=C/2\C=C(C(=O)C(=C2)OC)[N+](=O)[O-])C

DOS

IR

Vibrations