Geometry & MOs

Info

ID:	137828
PubChem CID:	52268706
Reduced:	FNSCl2O3C11H12 (1)
Stoich.:	ABCD2E3F11G12 (1)
Weight, g/mol:	228.162649
ΔH_f, kcal/mol:	-175.7
Dipole, Da:	3.96
IP(EA), eV:	-10.1(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[cyclopentylmethyl(methyl)amino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)CCCNC(=O)C1=CC(=C(C=C1Cl)Cl)F

DOS

IR

Vibrations