Geometry & MOs

Info

ID:	169739
PubChem CID:	75143171
Reduced:	F3O3N4C21H21 (1)
Stoich.:	A3B3C4D21E21 (1)
Weight, g/mol:	367.16444
ΔH_f, kcal/mol:	-230.55
Dipole, Da:	5.84
IP(EA), eV:	-9.06(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-2-(3-methylphenyl)-3,5-dioxo-N-(pyridin-4-ylmethyl)-1,2,4-triazinane-6-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)C1C(=O)N(C(=O)N(N1)C2=CC=CC(=C2)C)CC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations