Geometry & MOs

Info

ID:	285088
PubChem CID:	104097226
Reduced:	N2F3O3H11C12 (1)
Stoich.:	A2B3C3D11E12 (1)
Weight, g/mol:	282.121572
ΔH_f, kcal/mol:	-165.09
Dipole, Da:	4.9
IP(EA), eV:	-9.28(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4-hydroxy-3-methylbutan-2-yl)amino]-4-nitrobenzoate

Drug info:

PubChemData

Smile

C1=CC2=C(C=CN2CCOCC(F)(F)F)C(=C1)[N+](=O)[O-]

DOS

IR

Vibrations