Geometry & MOs

Info

ID:	429825
PubChem CID:	135169878
Reduced:	C2O3H4 (2)
Stoich.:	A2B3C4 (2)
Weight, g/mol:	527.181206
ΔH_f, kcal/mol:	-135.1
Dipole, Da:	2.49
IP(EA), eV:	-10.99(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-3-N-[(2E,4E)-5-chloro-6-(triazol-2-yl)hepta-2,4,6-trien-3-yl]-2-[N-(2-ethylquinolin-4-yl)-C-(trifluoromethyl)carbonimidoyl]buta-1,3-diene-1,3-diamine

Drug info:

PubChemData

Smile

CC(C)(O)OOC(=O)OO

DOS

IR

Vibrations