Geometry & MOs

Info

ID:	296465
PubChem CID:	117576680
Reduced:	N5C13H19 (1)
Stoich.:	A5B13C19 (1)
Weight, g/mol:	257.164046
ΔH_f, kcal/mol:	42.09
Dipole, Da:	4.71
IP(EA), eV:	-8.82(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)NC1=CC(=NC=N1)N2CCC(CC2)C#N

DOS

IR

Vibrations