Geometry & MOs

Info

ID:	416188
PubChem CID:	135089198
Reduced:	ClFN2O2C17H22 (1)
Stoich.:	ABC2D2E17F22 (1)
Weight, g/mol:	322.10842
ΔH_f, kcal/mol:	-146.62
Dipole, Da:	8.99
IP(EA), eV:	-8.79(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorobenzoyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)NC3=CC(=C(C=C3)F)Cl)O

DOS

IR

Vibrations