Geometry & MOs

Info

ID:	171326
PubChem CID:	75360046
Reduced:	N3H17C18 (1)
Stoich.:	A3B17C18 (1)
Weight, g/mol:	439.121827
ΔH_f, kcal/mol:	69.36
Dipole, Da:	0.97
IP(EA), eV:	-9.14(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3,5-bis(trifluoromethyl)benzoyl]-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CC(=NC(=N2)N)C3=CC=CC=C3C

DOS

IR

Vibrations