Geometry & MOs

Info

ID:	280766
PubChem CID:	103851179
Reduced:	OF2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	280.121178
ΔH_f, kcal/mol:	-84.12
Dipole, Da:	1.98
IP(EA), eV:	-9.24(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CNCC(C2=C(C=C(C=C2)F)F)O

DOS

IR

Vibrations