Geometry & MOs

Info

ID:	190186
PubChem CID:	77964155
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	329.256609
ΔH_f, kcal/mol:	-19.63
Dipole, Da:	3.66
IP(EA), eV:	-8.51(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-butoxy-2-(butoxymethyl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCNC1=NC(=CC(=C1)NN=CC2=CC=CC(=C2)C)OCCN3CCOCC3

DOS

IR

Vibrations