Geometry & MOs

Info

ID:	324152
PubChem CID:	126677037
Reduced:	ON7C22H23 (1)
Stoich.:	AB7C22D23 (1)
Weight, g/mol:	423.249507
ΔH_f, kcal/mol:	101.38
Dipole, Da:	3.67
IP(EA), eV:	-8.32(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[(3,6-diamino-2-hydrazinylpyridin-4-yl)methyl]pyrazol-1-yl]methyl]-N-methyl-N-[2-(methylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC2=CC(=CC=C2)N3C=C(C=N3)CC4=CC(=NC(=C4N)NN)N

DOS

IR

Vibrations