Geometry & MOs

Info

ID:	407318
PubChem CID:	135079814
Reduced:	OC3H4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	176.120115
ΔH_f, kcal/mol:	-141.17
Dipole, Da:	2.5
IP(EA), eV:	-9.46(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-methyl-4-phenylpentan-2-one

Drug info:

PubChemData

Smile

C[C@H]1[C@H](O[C@H]([C@@H](C1=O)C)OC)C2=CC=CO2

DOS

IR

Vibrations