Geometry & MOs

Info

ID:	414864
PubChem CID:	135087836
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	328.120322
ΔH_f, kcal/mol:	-64.04
Dipole, Da:	4.3
IP(EA), eV:	-8.56(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(5-chloro-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC2CCN(CC2)CC3=C(C(=O)C(=CN3)C)C

DOS

IR

Vibrations