Geometry & MOs

Info

ID:	191266
PubChem CID:	78123948
Reduced:	N3H8C9 (2)
Stoich.:	A3B8C9 (2)
Weight, g/mol:	453.046189
ΔH_f, kcal/mol:	187.31
Dipole, Da:	5.22
IP(EA), eV:	-8.9(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

7-chloro-N-[(3-chloro-3-cyclopenta-1,3-dien-1-ylpropylidene)amino]quinolin-4-amine;cyclopenta-1,3-diene;iron(2+)

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)NN=CC4C=CC=C4

DOS

IR

Vibrations