Geometry & MOs

Info

ID:	165007
PubChem CID:	74483106
Reduced:	ClF3N3O3C21H21 (1)
Stoich.:	AB3C3D3E21F21 (1)
Weight, g/mol:	403.189592
ΔH_f, kcal/mol:	-250.86
Dipole, Da:	7.16
IP(EA), eV:	-9.1(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-ethoxyphenyl)-6-oxo-1,3-diazinan-1-yl]-N-naphthalen-1-ylacetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2CC(=O)N(CN2)CC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

DOS

IR

Vibrations