Geometry & MOs

Info

ID:	145845
PubChem CID:	53601332
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	305.190341
ΔH_f, kcal/mol:	-88.24
Dipole, Da:	5.23
IP(EA), eV:	-8.55(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-[[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(=O)N2CCCCC2CNC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations