Geometry & MOs

Info

ID:	130003
PubChem CID:	51074573
Reduced:	OSN3H13C15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	297.184112
ΔH_f, kcal/mol:	56.11
Dipole, Da:	1.41
IP(EA), eV:	-8.98(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=CS2)NC(=O)CN3C=CC=N3

DOS

IR

Vibrations