Geometry & MOs

Info

ID:	333441
PubChem CID:	127251993
Reduced:	N5C22H25 (1)
Stoich.:	A5B22C25 (1)
Weight, g/mol:	359.210996
ΔH_f, kcal/mol:	81.79
Dipole, Da:	2.16
IP(EA), eV:	-8.54(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[5-[1-(pyridin-3-ylmethyl)piperidin-2-yl]pyridin-2-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC2=NC=C(C=C2)C3CCCCN3CC4=CN=CC=C4

DOS

IR

Vibrations