Geometry & MOs

Info

ID:	442709
PubChem CID:	135255917
Reduced:	FO3N8H23C26 (1)
Stoich.:	AB3C8D23E26 (1)
Weight, g/mol:	264.158626
ΔH_f, kcal/mol:	2.22
Dipole, Da:	7.59
IP(EA), eV:	-9.51(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[6-[(aminodiazenyl)methyl]pyridin-2-yl]-3-methylpentanoate

Drug info:

PubChemData

Smile

C1COCCC1(CC(=O)O)C2=CC=CC(=N2)CN3C=C(N=N3)C4=NC(=NC(=C4)C5=CC=CC(=C5F)C#N)N

DOS

IR

Vibrations