Geometry & MOs

Info

ID:	191445
PubChem CID:	78147757
Reduced:	F3N5O5H30C31 (1)
Stoich.:	A3B5C5D30E31 (1)
Weight, g/mol:	348.12407
ΔH_f, kcal/mol:	-190.79
Dipole, Da:	6.82
IP(EA), eV:	-8.56(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-chlorophenyl)ethyl]-3-(2-methylcyclopentyl)-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)NN=CC5=CC(=C(C=C5)F)F)F

DOS

IR

Vibrations