Geometry & MOs

Info

ID:	429522
PubChem CID:	135169571
Reduced:	NC5H5 (2)
Stoich.:	AB5C5 (2)
Weight, g/mol:	500.145155
ΔH_f, kcal/mol:	76.62
Dipole, Da:	4.79
IP(EA), eV:	-9.01(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-[(3Z)-3-(aminomethylidene)-5,5,5-trifluoro-4-(8-methylquinolin-5-yl)iminopent-1-en-2-yl]-3-chloro-2-N-[(Z)-2-iminoethylideneamino]pyridine-2,5-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2CC2)C#N

DOS

IR

Vibrations