Geometry & MOs

Info

ID:	198344
PubChem CID:	79090078
Reduced:	N3C16H21 (1)
Stoich.:	A3B16C21 (1)
Weight, g/mol:	255.173548
ΔH_f, kcal/mol:	49.79
Dipole, Da:	5.54
IP(EA), eV:	-8.57(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzonitrile

Drug info:

PubChemData

Smile

CN1C2CCC1CN(CC2)CC3=CC(=CC=C3)C#N

DOS

IR

Vibrations