Geometry & MOs

Info

ID:	184107
PubChem CID:	77110936
Reduced:	ClFON3C14H15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-27.18
Dipole, Da:	11.97
IP(EA), eV:	-8.56(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-hydroxy-4-[[(3-hydroxycyclobutyl)methylamino]methyl]benzenecarboximidamide

Drug info:

PubChemData

Smile

CCCNC1=NC(=C2C=CC(=O)C(=C2)Cl)N=C(C1F)C

DOS

IR

Vibrations