Geometry & MOs

Info

ID:	287529
PubChem CID:	104246132
Reduced:	N2O4C9H12 (1)
Stoich.:	A2B4C9D12 (1)
Weight, g/mol:	225.136493
ΔH_f, kcal/mol:	-56.41
Dipole, Da:	7.16
IP(EA), eV:	-9.65(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexen-1-yl)-1-(3,4-dihydroxypyrrolidin-1-yl)ethanone

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)OCCN)[N+](=O)[O-]

DOS

IR

Vibrations