Geometry & MOs

Info

ID:	45551
PubChem CID:	10514794
Reduced:	ClN3C13H16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	249.149557
ΔH_f, kcal/mol:	20.83
Dipole, Da:	4.64
IP(EA), eV:	-9.14(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3S)-1-(carboxymethyl)-3-propylcyclohexyl]methylazanium;chloride

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=N1)Cl)NC(=C2)C3CCCCC3

DOS

IR

Vibrations