Geometry & MOs

Info

ID:	216752
PubChem CID:	85086724
Reduced:	O2N5C15H16 (1)
Stoich.:	A2B5C15D16 (1)
Weight, g/mol:	299.04973
ΔH_f, kcal/mol:	8.97
Dipole, Da:	5.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.877390
Charge, e:	0

Chem-info

IUPAC name:

(1-methylsulfonyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl) methanesulfonate

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)C2=NC3=[N+](C(=O)N(C(=O)C3=N2)C)C

DOS

IR

Vibrations