Geometry & MOs

Info

ID:	429829
PubChem CID:	135169882
Reduced:	ClON4C10H11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	519.235828
ΔH_f, kcal/mol:	58.4
Dipole, Da:	3.93
IP(EA), eV:	-8.75(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-[(3Z)-3-(aminomethylidene)-5,5,5-trifluoro-4-(2-prop-2-enylquinolin-5-yl)iminopent-1-en-2-yl]-2-N,3-dimethyl-2-N-[(Z)-prop-2-enylideneamino]pyridine-2,5-diamine

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1NOC)Cl)N2C=CC=N2

DOS

IR

Vibrations