Geometry & MOs

Info

ID:	181959
PubChem CID:	76820917
Reduced:	F2N2O4C21H26 (1)
Stoich.:	A2B2C4D21E26 (1)
Weight, g/mol:	482.194103
ΔH_f, kcal/mol:	-267.38
Dipole, Da:	10.65
IP(EA), eV:	-9.19(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-fluorophenyl)methyl]-3-propan-2-yl-6-[4-propan-2-yloxy-3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione

Drug info:

PubChemData

Smile

CC(=O)N1CCCC1C(=O)N2CCC(CC2)C(=O)CC3=CC=C(C=C3)OC(F)F

DOS

IR

Vibrations