Geometry & MOs

Info

ID:	290448
PubChem CID:	104542540
Reduced:	ON2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	305.119798
ΔH_f, kcal/mol:	7.11
Dipole, Da:	4.86
IP(EA), eV:	-8.48(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)C(C2=CC3=C(C=C2)OCC3)NC

DOS

IR

Vibrations