Geometry & MOs

Info

ID:	255711
PubChem CID:	103134196
Reduced:	ON2C9H16 (1)
Stoich.:	AB2C9D16 (1)
Weight, g/mol:	230.141913
ΔH_f, kcal/mol:	-28.28
Dipole, Da:	2.76
IP(EA), eV:	-9.33(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl-[(5-methyloxolan-2-yl)methyl]amino]benzonitrile

Drug info:

PubChemData

Smile

CC1CCC(O1)CN(C)CC#N

DOS

IR

Vibrations