Geometry & MOs

Info

ID:	208826
PubChem CID:	80591447
Reduced:	F2N3O3C12H13 (1)
Stoich.:	A2B3C3D12E13 (1)
Weight, g/mol:	239.163377
ΔH_f, kcal/mol:	-147.82
Dipole, Da:	6.47
IP(EA), eV:	-8.84(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azocane-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide

Drug info:

PubChemData

Smile

C1CC1(/C(=N\O)/N)C(=O)NC2=CC=C(C=C2)OC(F)F

DOS

IR

Vibrations