Geometry & MOs

Info

ID:	211457
PubChem CID:	80953292
Reduced:	ClON3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	282.161125
ΔH_f, kcal/mol:	-15.75
Dipole, Da:	3.61
IP(EA), eV:	-9.2(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-propan-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(CC1=CC=CO1)NC2=CC(=NC(=N2)C(C)(C)C)Cl

DOS

IR

Vibrations