Geometry & MOs

Info

ID:	426488
PubChem CID:	135144428
Reduced:	FN2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	410.223725
ΔH_f, kcal/mol:	11.73
Dipole, Da:	2.15
IP(EA), eV:	-8.22(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-4-[2-(dimethylamino)-1-(methylamino)ethyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)N(C)CC2=C(C=CC(=C2)F)C#N

DOS

IR

Vibrations