Geometry & MOs

Info

ID:	170542
PubChem CID:	75249493
Reduced:	NO3C8H15 (2)
Stoich.:	AB3C8D15 (2)
Weight, g/mol:	319.199488
ΔH_f, kcal/mol:	-250.79
Dipole, Da:	4.5
IP(EA), eV:	-9.19(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;1-(tert-butylamino)-3-(2-methylpropoxy)propan-2-ol

Drug info:

PubChemData

Smile

CCCC(=NOCC(CNC(C)(C)C)O)C.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations