Geometry & MOs

Info

ID:	434314
PubChem CID:	135174678
Reduced:	PO3N5C16H17 (1)
Stoich.:	AB3C5D16E17 (1)
Weight, g/mol:	267.267448
ΔH_f, kcal/mol:	-13.87
Dipole, Da:	7.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.811923
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1-tert-butylpyrrolidin-3-yl)butyl]piperazine

Drug info:

PubChemData

Smile

C=C[C@H](CN1C=NC2=C(N=CN=C21)N)OC[P+](=O)OC3=CC=CC=C3

DOS

IR

Vibrations