Geometry & MOs

Info

ID:	421867
PubChem CID:	135116750
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	378.195486
ΔH_f, kcal/mol:	-28.87
Dipole, Da:	2.43
IP(EA), eV:	-9.01(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluorobenzoyl)-11-(3-methoxypropyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

Drug info:

PubChemData

Smile

C1CN(CCC1N[C@@H]2COC[C@H]2CC3=CC=NC=C3)CC4=CC=CO4

DOS

IR

Vibrations