Geometry & MOs

Info

ID:	45899
PubChem CID:	10518879
Reduced:	NO2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	308.173607
ΔH_f, kcal/mol:	-139.54
Dipole, Da:	1.33
IP(EA), eV:	-8.44(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2S)-1-[(2S)-3-methyl-1-nitrobutan-2-yl]oxy-1-phenylpropan-2-yl]acetamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations