Geometry & MOs

Info

ID:	144898
PubChem CID:	53429944
Reduced:	ClN2O2H11C13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	319.030371
ΔH_f, kcal/mol:	-40.13
Dipole, Da:	4.5
IP(EA), eV:	-9.7(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

2-methyl-2-[3-methyl-2-nitro-4-(trifluoromethyl)phenyl]propanedioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(C2=NC=CC(=C2)Cl)C(=O)O

DOS

IR

Vibrations