Geometry & MOs

Info

ID:	296390
PubChem CID:	117571749
Reduced:	N3C13H13 (1)
Stoich.:	A3B13C13 (1)
Weight, g/mol:	211.110947
ΔH_f, kcal/mol:	85.44
Dipole, Da:	1.79
IP(EA), eV:	-8.91(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-cyanocyclobutyl)methylamino]benzonitrile

Drug info:

PubChemData

Smile

C1CC(C1)(CNC2=CC=CC=C2C#N)C#N

DOS

IR

Vibrations