Geometry & MOs

Info

ID:	429793
PubChem CID:	135169845
Reduced:	BrN5C7H8 (1)
Stoich.:	AB5C7D8 (1)
Weight, g/mol:	511.11352
ΔH_f, kcal/mol:	87.62
Dipole, Da:	1.46
IP(EA), eV:	-8.25(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[[(3Z)-3-(aminomethylidene)-5,5,5-trifluoro-4-quinolin-5-yliminopent-1-en-2-yl]amino]-3-chloropyridin-2-yl]pyrazole-4-carbaldehyde

Drug info:

PubChemData

Smile

C1C=NN(N1)C2=C(C=C(C=N2)N)Br

DOS

IR

Vibrations