Geometry & MOs

Info

ID:	267103
PubChem CID:	103580791
Reduced:	BrOSN2C11H17 (1)
Stoich.:	ABCD2E11F17 (1)
Weight, g/mol:	260.132491
ΔH_f, kcal/mol:	-32.63
Dipole, Da:	3.2
IP(EA), eV:	-9.4(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-4-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC(C(C)N)C(=O)NCCC1=CC=C(S1)Br

DOS

IR

Vibrations