Geometry & MOs

Info

ID:	374351
PubChem CID:	131327290
Reduced:	ON2C5H6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	246.043902
ΔH_f, kcal/mol:	-54.96
Dipole, Da:	6.38
IP(EA), eV:	-8.79(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dichloro-5-[(2R)-piperidin-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)C2=C(C=NC=C2)N)C

DOS

IR

Vibrations