Geometry & MOs

Info

ID:	180781
PubChem CID:	76684730
Reduced:	NOC9H9 (2)
Stoich.:	ABC9D9 (2)
Weight, g/mol:	424.122161
ΔH_f, kcal/mol:	-4.2
Dipole, Da:	1.99
IP(EA), eV:	-8.96(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,4-trifluoro-1-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C=C1C2=C(ON=C2C)C)CC3=CC=CC=C3

DOS

IR

Vibrations