Geometry & MOs

Info

ID:	256523
PubChem CID:	103139704
Reduced:	ON3H11C16 (1)
Stoich.:	AB3C11D16 (1)
Weight, g/mol:	231.02588
ΔH_f, kcal/mol:	76.06
Dipole, Da:	8.27
IP(EA), eV:	-8.75(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-3-(5-methyloxolan-2-yl)propanenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)OC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations