Geometry & MOs

Info

ID:	193095
PubChem CID:	78342091
Reduced:	N3O5C20H21 (1)
Stoich.:	A3B5C20D21 (1)
Weight, g/mol:	359.145676
ΔH_f, kcal/mol:	-158.17
Dipole, Da:	0.89
IP(EA), eV:	-8.67(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-methoxyethylamino)-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C(CNC2=O)C(=O)NC3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations