Geometry & MOs

Info

ID:	56863
PubChem CID:	22394482
Reduced:	O2N3C25H31 (1)
Stoich.:	A2B3C25D31 (1)
Weight, g/mol:	212.082874
ΔH_f, kcal/mol:	-36.51
Dipole, Da:	3.67
IP(EA), eV:	-8.47(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-piperidin-4-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)NC1CCN(CC1)C(=O)C2=CC3=CC=CC=C3N2CC4=CC=C(C=C4)OC

DOS

IR

Vibrations