Geometry & MOs

Info

ID:	340910
PubChem CID:	127263345
Reduced:	ClN3C13H18 (1)
Stoich.:	AB3C13D18 (1)
Weight, g/mol:	232.105922
ΔH_f, kcal/mol:	21.4
Dipole, Da:	2.36
IP(EA), eV:	-8.28(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol;oxalic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)Cl)N(C=C2CCCN)CCN

DOS

IR

Vibrations