Geometry & MOs

Info

ID:	286187
PubChem CID:	104158894
Reduced:	N3O3C13H21 (1)
Stoich.:	A3B3C13D21 (1)
Weight, g/mol:	255.117176
ΔH_f, kcal/mol:	-98.35
Dipole, Da:	7.42
IP(EA), eV:	-8.99(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-2-[(1-pyridin-4-ylethylamino)methyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)OCCCCNC1=NN=C(C=C1)C(=O)OC

DOS

IR

Vibrations