Geometry & MOs

Info

ID:	43363
PubChem CID:	10321178
Reduced:	O2F3N3C24H24 (1)
Stoich.:	A2B3C3D24E24 (1)
Weight, g/mol:	443.182062
ΔH_f, kcal/mol:	-157.61
Dipole, Da:	3.87
IP(EA), eV:	-9.22(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,4-difluorophenyl)methyl]-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

Drug info:

PubChemData

Smile

CCCC1=C(C(=O)N(N1CCO)CC(F)(F)F)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

DOS

IR

Vibrations