Geometry & MOs

Info

ID:	438243
PubChem CID:	135227937
Reduced:	FN6C23H23 (1)
Stoich.:	AB6C23D23 (1)
Weight, g/mol:	406.228123
ΔH_f, kcal/mol:	84.76
Dipole, Da:	6.06
IP(EA), eV:	-8.08(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-1-amino-2-[amino(ethyl)amino]prop-1-enyl]-2-N-[(3-fluoropyridin-2-yl)-phenylmethyl]benzene-1,2-diamine

Drug info:

PubChemData

Smile

CCN1C(=C(N=N1)C2=CC(=C(C=C2)N)NC(C3=CC=CC=C3)C4=C(C=CC=N4)F)C

DOS

IR

Vibrations