Geometry & MOs

Info

ID:	171327
PubChem CID:	75360307
Reduced:	NO4F6C19H19 (1)
Stoich.:	AB4C6D19E19 (1)
Weight, g/mol:	386.080013
ΔH_f, kcal/mol:	-483.0
Dipole, Da:	4.92
IP(EA), eV:	-10.27(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dichlorobenzoyl)-8-ethyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCC2(CC1)N(C(CO2)C(=O)O)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations