Geometry & MOs

Info

ID:	333443
PubChem CID:	127251995
Reduced:	N3C11H13 (2)
Stoich.:	A3B11C13 (2)
Weight, g/mol:	386.210661
ΔH_f, kcal/mol:	81.27
Dipole, Da:	2.56
IP(EA), eV:	-8.69(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC2=NC=C(C=C2)C3CCCCN3CC4=CN=CC=C4)C

DOS

IR

Vibrations