Geometry & MOs

Info

ID:	383796
PubChem CID:	134975731
Reduced:	INO4C11H20 (1)
Stoich.:	ABC4D11E20 (1)
Weight, g/mol:	204.151415
ΔH_f, kcal/mol:	-197.25
Dipole, Da:	2.43
IP(EA), eV:	-10.06(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyloctan-2-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]([C@@H](C(C)C)NC(=O)OCC)I

DOS

IR

Vibrations