Geometry & MOs

Info

ID:	429838
PubChem CID:	135169891
Reduced:	BrISN2H4C7 (1)
Stoich.:	ABCD2E4F7 (1)
Weight, g/mol:	466.179649
ΔH_f, kcal/mol:	75.64
Dipole, Da:	2.27
IP(EA), eV:	-9.23(-2.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-[(3Z)-3-(aminomethylidene)-5-fluoro-4-[(6-methyl-7,8-dihydroquinolin-5-yl)imino]pent-1-en-2-yl]-3-chloro-2-N-[(Z)-2-iminoethylideneamino]pyridine-2,5-diamine

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1)N(C=C2Br)SI

DOS

IR

Vibrations