Geometry & MOs

Info

ID:	65071
PubChem CID:	29204427
Reduced:	N2O4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	346.189257
ΔH_f, kcal/mol:	-108.53
Dipole, Da:	3.89
IP(EA), eV:	-8.57(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-butylphenyl)-2-[(1R,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)NC(=O)C[C@H]2[C@H]([C@H](CC2=O)C)C[N+](=O)[O-]

DOS

IR

Vibrations