Geometry & MOs

Info

ID:	169953
PubChem CID:	75173754
Reduced:	FO3N4C27H27 (1)
Stoich.:	AB3C4D27E27 (1)
Weight, g/mol:	496.212198
ΔH_f, kcal/mol:	-87.58
Dipole, Da:	1.75
IP(EA), eV:	-9.32(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-(3-fluorophenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazinane-6-carbonyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)N2C(=O)N(C(=O)C(N2)C(=O)NCC3=CC=CC=C3)CC4=CC=CC=C4F

DOS

IR

Vibrations