Geometry & MOs

Info

ID:	202727
PubChem CID:	79716318
Reduced:	ClN4C15H27 (1)
Stoich.:	AB4C15D27 (1)
Weight, g/mol:	275.179776
ΔH_f, kcal/mol:	4.39
Dipole, Da:	3.62
IP(EA), eV:	-8.88(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-3-fluorobenzonitrile

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1Cl)CN(CC)CC2CCNCC2)C

DOS

IR

Vibrations