Geometry & MOs

Info

ID:	267223
PubChem CID:	103581416
Reduced:	NOC6H11 (2)
Stoich.:	ABC6D11 (2)
Weight, g/mol:	248.132491
ΔH_f, kcal/mol:	-106.84
Dipole, Da:	4.43
IP(EA), eV:	-9.26(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2,3-dimethyloxolan-3-yl)amino]methyl]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC1C(CCO1)(C)NCC(=O)N2CCCC2

DOS

IR

Vibrations