Geometry & MOs

Info

ID:	165006
PubChem CID:	74482878
Reduced:	N3O5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	455.122354
ΔH_f, kcal/mol:	-137.57
Dipole, Da:	4.89
IP(EA), eV:	-8.03(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-ethoxyphenyl)-6-oxo-1,3-diazinan-1-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CC(=O)N(CN2)CC(=O)NC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations