Geometry & MOs

Info

ID:	171329
PubChem CID:	75360423
Reduced:	NO2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	368.154764
ΔH_f, kcal/mol:	-164.73
Dipole, Da:	6.59
IP(EA), eV:	-8.98(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-difluorobenzoyl)-8-propyl-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)C

DOS

IR

Vibrations