Geometry & MOs

Info

ID:	323581
PubChem CID:	126675510
Reduced:	ON6H12C15 (1)
Stoich.:	AB6C12D15 (1)
Weight, g/mol:	459.213121
ΔH_f, kcal/mol:	136.64
Dipole, Da:	2.22
IP(EA), eV:	-9.12(-1.11)
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-[(6-oxo-1H-pyridin-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NOC(=C2)CC3=CC(=NC4=NNN=C34)N

DOS

IR

Vibrations