Geometry & MOs

Info

ID:	171758
PubChem CID:	75423300
Reduced:	N2O2C19H22 (1)
Stoich.:	A2B2C19D22 (1)
Weight, g/mol:	347.093977
ΔH_f, kcal/mol:	-16.53
Dipole, Da:	5.44
IP(EA), eV:	-9.03(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]aniline

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)CNC2(CC2)C3=CC=CC=C3

DOS

IR

Vibrations