Geometry & MOs

Info

ID:	171328
PubChem CID:	75360422
Reduced:	Cl2N2O4C17H20 (1)
Stoich.:	A2B2C4D17E20 (1)
Weight, g/mol:	332.173607
ΔH_f, kcal/mol:	-166.92
Dipole, Da:	4.27
IP(EA), eV:	-8.76(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCC2(CC1)N(C(CO2)C(=O)O)C(=O)C3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations