Geometry & MOs

Info

ID:	167683
PubChem CID:	74857689
Reduced:	FO3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	426.170333
ΔH_f, kcal/mol:	-86.36
Dipole, Da:	1.35
IP(EA), eV:	-9.24(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenyl)-4-[(2-methylphenyl)methyl]-6-(morpholine-4-carbonyl)-1,2,4-triazinane-3,5-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)C(NN(C2=O)C3=CC=CC=C3F)C(=O)NCC4CC4

DOS

IR

Vibrations