Geometry & MOs

Info

ID:	432370
PubChem CID:	135172503
Reduced:	NO5C22H37 (1)
Stoich.:	AB5C22D37 (1)
Weight, g/mol:	225.220498
ΔH_f, kcal/mol:	-216.86
Dipole, Da:	4.44
IP(EA), eV:	-7.76(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-butylpyrrolidin-3-yl)-4-methylpiperazine

Drug info:

PubChemData

Smile

CC(C)NC1=CC=C(C=C1)OCCCOCCCCOCCCOCC(=O)C

DOS

IR

Vibrations