Geometry & MOs

Info

ID:	229000
PubChem CID:	87566753
Reduced:	ClN2O2C13H19 (1)
Stoich.:	AB2C2D13E19 (1)
Weight, g/mol:	310.126382
ΔH_f, kcal/mol:	-98.63
Dipole, Da:	3.47
IP(EA), eV:	-9.7(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butoxypropane-1,2,3-tricarboxylic acid;ethane-1,2-diol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)Cl)CN(C)C(=O)OC(C)(C)C

DOS

IR

Vibrations