Geometry & MOs

Info

ID:	268876
PubChem CID:	103601320
Reduced:	NO2C6H11 (2)
Stoich.:	AB2C6D11 (2)
Weight, g/mol:	254.090272
ΔH_f, kcal/mol:	-194.29
Dipole, Da:	0.85
IP(EA), eV:	-8.99(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-hydroxybutan-2-ylamino)-5-nitrobenzoic acid

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)CC(C)C(=O)OC

DOS

IR

Vibrations