Geometry & MOs

Info

ID:	49050
PubChem CID:	11528655
Reduced:	NO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	-137.13
Dipole, Da:	7.17
IP(EA), eV:	-9.56(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCN1C2=CC=CC=C2C(=O)OC1=O

DOS

IR

Vibrations