Geometry & MOs

Info

ID:	55096
PubChem CID:	17389759
Reduced:	ClNOC12H18 (1)
Stoich.:	ABCD12E18 (1)
Weight, g/mol:	217.131408
ΔH_f, kcal/mol:	-62.44
Dipole, Da:	1.78
IP(EA), eV:	-9.07(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butylpyrrolidine;oxalic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C2CCCN2)OC.Cl

DOS

IR

Vibrations