Geometry & MOs

Info

ID:	311454
PubChem CID:	126592913
Reduced:	O2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	336.135304
ΔH_f, kcal/mol:	-49.33
Dipole, Da:	3.08
IP(EA), eV:	-9.66(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-N,N'-diamino-2-[2-[3-chloro-4-[cyclopropyl(hydroxy)methyl]phenyl]-2-oxoethyl]cyclopropane-1-carboximidamide

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)C=O)C(C2CC2)O

DOS

IR

Vibrations