Geometry & MOs

Info

ID:	295198
PubChem CID:	117521196
Reduced:	ClN2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	216.126263
ΔH_f, kcal/mol:	29.15
Dipole, Da:	4.98
IP(EA), eV:	-9.47(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methylphenoxy)methyl]pyrrolidine-2-carbonitrile

Drug info:

PubChemData

Smile

C1CC(NC1)(CCC2=CC=C(C=C2)Cl)C#N

DOS

IR

Vibrations