Geometry & MOs

Info

ID:	311451
PubChem CID:	126592910
Reduced:	ClO3H9C10 (1)
Stoich.:	AB3C9D10 (1)
Weight, g/mol:	334.119654
ΔH_f, kcal/mol:	-70.56
Dipole, Da:	1.66
IP(EA), eV:	-9.51(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-N'-amino-2-[2-[3-chloro-4-(cyclopropyloxymethyl)phenyl]-2-oxoethyl]-N-iminocyclopropane-1-carboximidamide

Drug info:

PubChemData

Smile

C1C(CO1)OC2=C(C=C(C=C2)C=O)Cl

DOS

IR

Vibrations