Geometry & MOs

Info

ID:	170227
PubChem CID:	75209666
Reduced:	F3N4O4C22H31 (1)
Stoich.:	A3B4C4D22E31 (1)
Weight, g/mol:	478.18279
ΔH_f, kcal/mol:	-329.71
Dipole, Da:	8.46
IP(EA), eV:	-9.85(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-benzyl-2,4-dioxo-1,3-diazinan-5-yl)-N-ethyl-4-(2,2,2-trifluoroethoxymethyl)benzamide

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)N(CCCC)C(=O)C2=CC=C(C=C2)COCC(F)(F)F)N

DOS

IR

Vibrations