Geometry & MOs

Info

ID:	333445
PubChem CID:	127251997
Reduced:	ON5C24H27 (1)
Stoich.:	AB5C24D27 (1)
Weight, g/mol:	373.19026
ΔH_f, kcal/mol:	22.11
Dipole, Da:	6.64
IP(EA), eV:	-8.76(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[(3-methylpyridin-2-yl)amino]pyridin-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC2=NC=C(C=C2)C3CCCCN3C(=O)CC4=CC=CC=C4)C

DOS

IR

Vibrations