Geometry & MOs

Info

ID:	312639
PubChem CID:	126607093
Reduced:	ClFO2N3H27C30 (1)
Stoich.:	ABC2D3E27F30 (1)
Weight, g/mol:	186.044757
ΔH_f, kcal/mol:	-58.71
Dipole, Da:	3.88
IP(EA), eV:	-9.11(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(chloromethyl)phenyl]ethane-1,2-diol

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H](C2=NC=CC(=C2)C3=CC=CC=C3NC1=O)N4C=CC(=CC4=O)C5=C(C(=CC=C5)Cl)F

DOS

IR

Vibrations