Geometry & MOs

Info

ID:	228900
PubChem CID:	87566153
Reduced:	ClOF3N3H23C24 (1)
Stoich.:	ABC3D3E23F24 (1)
Weight, g/mol:	368.168247
ΔH_f, kcal/mol:	-139.31
Dipole, Da:	7.34
IP(EA), eV:	-9.6(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxypropoxy)propan-1-ol;1-propoxypropane-1,2,3-tricarboxylic acid

Drug info:

PubChemData

Smile

CNC(=O)[C@H](C1=CC=CC=C1)N[C@@H](CCC2=CC=C(C=C2)C(F)(F)F)C3=CN=C(C=C3)Cl

DOS

IR

Vibrations