Geometry & MOs

Info

ID:	51555
PubChem CID:	12014246
Reduced:	O3C16H32 (1)
Stoich.:	A3B16C32 (1)
Weight, g/mol:	233.00514
ΔH_f, kcal/mol:	-170.67
Dipole, Da:	4.29
IP(EA), eV:	-8.98(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(bromomethyl)oxetan-3-yl]methoxy]propanenitrile

Drug info:

PubChemData

Smile

CCCCCC[C@H](/C=C/OCCOC)[C@H](CCC)O

DOS

IR

Vibrations