Geometry & MOs

Info

ID:	170541
PubChem CID:	75249492
Reduced:	N2O6C21H30 (1)
Stoich.:	A2B6C21D30 (1)
Weight, g/mol:	346.210387
ΔH_f, kcal/mol:	-199.91
Dipole, Da:	7.6
IP(EA), eV:	-9.32(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;1-(tert-butylamino)-3-(pentan-2-ylideneamino)oxypropan-2-ol

Drug info:

PubChemData

Smile

CC(=NOCC(CNC(C)(C)C)O)C=CC1=CC=CC=C1.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations