Geometry & MOs

Info

ID:	169747
PubChem CID:	75143324
Reduced:	N2O3C12H14 (2)
Stoich.:	A2B3C12D14 (2)
Weight, g/mol:	528.162054
ΔH_f, kcal/mol:	-163.93
Dipole, Da:	4.63
IP(EA), eV:	-8.41(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-3,5-dioxo-N-phenyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazinane-6-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N2C(=O)N(C(=O)C(N2)C(=O)N3CCCC3)CC4=CC(=CC=C4)OC)OC

DOS

IR

Vibrations