Geometry & MOs

Info

ID:	291560
PubChem CID:	113443107
Reduced:	NC17H25 (1)
Stoich.:	AB17C25 (1)
Weight, g/mol:	261.057198
ΔH_f, kcal/mol:	0.94
Dipole, Da:	1.97
IP(EA), eV:	-8.67(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)/C=C/C2CCCCN2

DOS

IR

Vibrations