Geometry & MOs

Info

ID:	262023
PubChem CID:	103266653
Reduced:	NO3C10H19 (1)
Stoich.:	AB3C10D19 (1)
Weight, g/mol:	282.121572
ΔH_f, kcal/mol:	-152.3
Dipole, Da:	5.66
IP(EA), eV:	-9.4(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]-6-nitrobenzoic acid

Drug info:

PubChemData

Smile

CC(C(C)(C)NCC(=CC(=O)O)C)O

DOS

IR

Vibrations