Geometry & MOs

Info

ID:	126424
PubChem CID:	50964542
Reduced:	NF2O5H19C20 (1)
Stoich.:	AB2C5D19E20 (1)
Weight, g/mol:	346.189257
ΔH_f, kcal/mol:	-235.24
Dipole, Da:	4.82
IP(EA), eV:	-8.91(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1F)C(=O)N2CC[C@H]([C@@H](C2)O)C3=CC4=C(C=C3)OCO4)F

DOS

IR

Vibrations