Geometry & MOs

Info

ID:	338746
PubChem CID:	127259757
Reduced:	ClNO3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	254.107358
ΔH_f, kcal/mol:	-121.91
Dipole, Da:	4.21
IP(EA), eV:	-9.9(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chlorohexyl 2-phenylacetate

Drug info:

PubChemData

Smile

C1C(C(NC1=O)Cl)OC(=O)CC2=CC=CC=C2

DOS

IR

Vibrations