Geometry & MOs

Info

ID:	64245
PubChem CID:	29198660
Reduced:	N2O5C18H28 (1)
Stoich.:	A2B5C18D28 (1)
Weight, g/mol:	256.142307
ΔH_f, kcal/mol:	-207.04
Dipole, Da:	2.82
IP(EA), eV:	-8.55(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,2S,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC(C)C)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC

DOS

IR

Vibrations