Geometry & MOs

Info

ID:	443221
PubChem CID:	135258163
Reduced:	ON3C34H67 (1)
Stoich.:	AB3C34D67 (1)
Weight, g/mol:	428.177917
ΔH_f, kcal/mol:	-133.15
Dipole, Da:	6.09
IP(EA), eV:	-9.51(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-(2-chloro-4-fluorophenyl)ethyl]-3-[(dimethylamino)methyl]-4-nitrosopiperidin-4-yl]benzonitrile

Drug info:

PubChemData

Smile

CCCCCCCC(CCCCCC)COCCCN1C=C(N=N1)CC(CCCCCC)CCCCCC

DOS

IR

Vibrations