Geometry & MOs

Info

ID:	436831
PubChem CID:	135212068
Reduced:	ON4C9H12 (1)
Stoich.:	AB4C9D12 (1)
Weight, g/mol:	458.219015
ΔH_f, kcal/mol:	37.16
Dipole, Da:	5.78
IP(EA), eV:	-8.56(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-[fluoro-(4-methyl-5-oxo-2H-furan-3-yl)amino]propyl]-4-[[6-(tetrazol-1-yl)pyridazin-3-yl]methylamino]cyclohexane-1-carbaldehyde

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)N(/C=N\N)N

DOS

IR

Vibrations