Geometry & MOs

Info

ID:	266458
PubChem CID:	103567098
Reduced:	NSO2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-0.67
Dipole, Da:	3.57
IP(EA), eV:	-8.82(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxybenzonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C#N)OCCSC2=CC=CC=C2

DOS

IR

Vibrations