Geometry & MOs

Info

ID:	374009
PubChem CID:	131322301
Reduced:	BrN4H9C11 (1)
Stoich.:	AB4C9D11 (1)
Weight, g/mol:	214.146999
ΔH_f, kcal/mol:	116.15
Dipole, Da:	4.51
IP(EA), eV:	-9.75(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(piperidin-4-ylmethyl)phenyl]acetonitrile

Drug info:

PubChemData

Smile

CC(C#N)C1=CN=NN1C2=CC=C(C=C2)Br

DOS

IR

Vibrations