Geometry & MOs

Info

ID:	324004
PubChem CID:	126676749
Reduced:	N9C27H29 (1)
Stoich.:	A9B27C29 (1)
Weight, g/mol:	483.285892
ΔH_f, kcal/mol:	272.11
Dipole, Da:	3.09
IP(EA), eV:	-8.21(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-[[3-(2-benzylpiperazin-1-yl)phenyl]methyl]pyrazol-4-yl]methyl]-6-hydrazinylpyridine-2,5-diamine

Drug info:

PubChemData

Smile

C1CN(C(CN1)CC2=CC=CC=C2)C3=CC=CC(=C3)CN4C=C(C=N4)CC5=CC(=NC6=NNN=C56)N

DOS

IR

Vibrations