Geometry & MOs

Info

ID:	421531
PubChem CID:	135116170
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	388.191069
ΔH_f, kcal/mol:	-146.7
Dipole, Da:	2.96
IP(EA), eV:	-9.31(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[(4-fluorophenyl)methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CNC(=O)[C@@H]2CC[C@@H]([C@@H](C2)OC)O)C

DOS

IR

Vibrations