Geometry & MOs

Info

ID:	333453
PubChem CID:	127252005
Reduced:	ON6C20H28 (1)
Stoich.:	AB6C20D28 (1)
Weight, g/mol:	403.200825
ΔH_f, kcal/mol:	3.43
Dipole, Da:	4.74
IP(EA), eV:	-8.74(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-1-[2-[6-(pyrazin-2-ylamino)pyridin-3-yl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC2=NC=C(C=C2)C3CCCCN3CC(=O)N(C)C)C

DOS

IR

Vibrations