Geometry & MOs

Info

ID:	429819
PubChem CID:	135169872
Reduced:	N5C9H9 (1)
Stoich.:	A5B9C9 (1)
Weight, g/mol:	474.152827
ΔH_f, kcal/mol:	115.75
Dipole, Da:	2.93
IP(EA), eV:	-8.31(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3Z)-3-(aminomethylidene)-5,5,5-trifluoro-4-isoquinolin-4-yliminopent-1-en-2-yl]amino]-2-(triazol-2-yl)benzonitrile

Drug info:

PubChemData

Smile

C1C=NN(N1)C2=C(C=C(C=C2)N)C#N

DOS

IR

Vibrations