Geometry & MOs

Info

ID:	49051
PubChem CID:	11528656
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	-46.47
Dipole, Da:	3.22
IP(EA), eV:	-9.83(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-3-methyl-5-nitro-4-phenylpentan-2-one

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C[N+](=O)[O-])C1=CC=CC=C1)C(=O)C

DOS

IR

Vibrations