Geometry & MOs

Info

ID:	372442
PubChem CID:	131297710
Reduced:	ClFN3H9C10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	242.034586
ΔH_f, kcal/mol:	3.99
Dipole, Da:	5.65
IP(EA), eV:	-8.89(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-chloro-2-oxopropyl)-4-(hydroxymethyl)benzoic acid

Drug info:

PubChemData

Smile

CN1C(=CN=C1C2=CC(=C(C=C2)Cl)F)N

DOS

IR

Vibrations