Geometry & MOs

Info

ID:	59040
PubChem CID:	24770541
Reduced:	NO2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	231.110673
ΔH_f, kcal/mol:	12.77
Dipole, Da:	3.94
IP(EA), eV:	-8.48(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1R,2S,4R,5R)-4-(dimethoxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=C1)/[N+](=C/C2=CC=CO2)/[O-]

DOS

IR

Vibrations