Geometry & MOs

Info

ID:	19481
PubChem CID:	565093
Reduced:	NOC6H8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	220.121178
ΔH_f, kcal/mol:	-50.34
Dipole, Da:	5.13
IP(EA), eV:	-10.65(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-cyanoethyl)-6-methyl-4-oxooxan-3-yl]propanenitrile

Drug info:

PubChemData

Smile

CC1CC(=O)C(CO1)(CCC#N)CCC#N

DOS

IR

Vibrations