Geometry & MOs

Info

ID:	150547
PubChem CID:	53790240
Reduced:	N2O3C10H20 (1)
Stoich.:	A2B3C10D20 (1)
Weight, g/mol:	194.110693
ΔH_f, kcal/mol:	-147.99
Dipole, Da:	3.23
IP(EA), eV:	-9.64(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluorophenyl)-4-methylpentan-2-one

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C=O)NC(=O)[C@H](CC(C)C)N)O

DOS

IR

Vibrations