Geometry & MOs

Info

ID:	267129
PubChem CID:	103580925
Reduced:	NO3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	260.132491
ΔH_f, kcal/mol:	-118.25
Dipole, Da:	3.34
IP(EA), eV:	-9.41(1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1CC1C2C(CCO2)NCC3CCOCO3

DOS

IR

Vibrations