Geometry & MOs

Info

ID:	32388
PubChem CID:	7746128
Reduced:	ON3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	396.093306
ΔH_f, kcal/mol:	82.13
Dipole, Da:	17.15
IP(EA), eV:	-4.96(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CC2=C(C=CC3=CC=CC=C32)O)C4=CC=CC=[NH+]4

DOS

IR

Vibrations