Geometry & MOs

Info

ID:	425357
PubChem CID:	135126036
Reduced:	ON6C25H30 (1)
Stoich.:	AB6C25D30 (1)
Weight, g/mol:	333.160994
ΔH_f, kcal/mol:	22.04
Dipole, Da:	2.42
IP(EA), eV:	-8.73(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[2.2.2]octanyl]methyl methanesulfonate

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CC2=NC3=CN=C4C(=C3N2C56CCC(CC5)(CC6)CC#N)C=CN4

DOS

IR

Vibrations