Geometry & MOs

Info

ID:	35659
PubChem CID:	7980162
Reduced:	NO5C23H31 (1)
Stoich.:	AB5C23D31 (1)
Weight, g/mol:	342.121572
ΔH_f, kcal/mol:	-173.29
Dipole, Da:	3.97
IP(EA), eV:	-8.54(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 4-methylbenzoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1COC[C@H](CN(C[C@@H]2CCCO2)CC3=CC=CC=C3O)O

DOS

IR

Vibrations