Geometry & MOs

Info

ID:	84508
PubChem CID:	49867074
Reduced:	ON5H13C14 (1)
Stoich.:	AB5C13D14 (1)
Weight, g/mol:	394.06949
ΔH_f, kcal/mol:	73.34
Dipole, Da:	1.68
IP(EA), eV:	-9.38(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[(E)-[2-methyl-3-oxo-5-(phosphonooxymethyl)pyridin-4-ylidene]methyl]amino]cyclopentyl]phosphonic acid

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C(=O)N/N=C/C2=CC=C(C=C2)C(=N)N

DOS

IR

Vibrations