Geometry & MOs

Info

ID:	59328
PubChem CID:	24779528
Reduced:	NPO7C46H77 (1)
Stoich.:	ABC7D46E77 (1)
Weight, g/mol:	205.03697
ΔH_f, kcal/mol:	-219.98
Dipole, Da:	3.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.756348
Charge, e:	0

Chem-info

IUPAC name:

1-pyrrolidin-1-ylbutane-1-selone

Drug info:

PubChemData

Smile

C[N+](C)(C)CCOP(=O)(O)OC[C@@H](COC(=O)CCCCCC1CC2C1C3C2C4C3C5C4CC5)OCCCCCCCCC6CCC7C(C6)C8C7C9C8CC9

DOS

IR

Vibrations