Geometry & MOs

Info

ID:	441614
PubChem CID:	135237319
Reduced:	N2F4O5C27H28 (1)
Stoich.:	A2B4C5D27E28 (1)
Weight, g/mol:	288.183778
ΔH_f, kcal/mol:	-353.99
Dipole, Da:	6.62
IP(EA), eV:	-8.95(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-(methylamino)-7-azaspiro[3.5]nonane-7-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC[C@H](C(F)(F)F)OC(=O)N2CCC3(CC2)CC(CO3)C4=C(C=CC(=C4)C#N)F

DOS

IR

Vibrations