Geometry & MOs

Info

ID:	324157
PubChem CID:	126677045
Reduced:	ON9C20H23 (1)
Stoich.:	AB9C20D23 (1)
Weight, g/mol:	409.270242
ΔH_f, kcal/mol:	104.76
Dipole, Da:	6.09
IP(EA), eV:	-8.21(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-3-amino-2-[[4-(4-methylpiperazin-1-yl)phenyl]methyliminomethyl]prop-2-enyl]-6-hydrazinylpyridine-2,5-diamine

Drug info:

PubChemData

Smile

C1C2=C(C=C(C=C2)CN3C=C(C=N3)CC4=CC(=NC5=C4NNN5)N)C(=O)N1CCN

DOS

IR

Vibrations