Geometry & MOs

Info

ID:	285081
PubChem CID:	104096936
Reduced:	SN2O4C12H14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	282.121572
ΔH_f, kcal/mol:	-59.18
Dipole, Da:	4.45
IP(EA), eV:	-8.83(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])N2CCSCC2

DOS

IR

Vibrations