Geometry & MOs

Info

ID:	144652
PubChem CID:	53393801
Reduced:	ON3H11C19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	382.157182
ΔH_f, kcal/mol:	90.15
Dipole, Da:	1.79
IP(EA), eV:	-9.53(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C=CC=C3C2=O)C4=NC5=C(N4)C=NC=C5

DOS

IR

Vibrations