Geometry & MOs

Info

ID:	83015
PubChem CID:	49857007
Reduced:	O2N5C15H25 (1)
Stoich.:	A2B5C15D25 (1)
Weight, g/mol:	279.169525
ΔH_f, kcal/mol:	-87.24
Dipole, Da:	3.62
IP(EA), eV:	-8.9(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R)-3-[(2-aminopyrimidin-4-yl)amino]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)CNC2=NC(=NC=C2)N

DOS

IR

Vibrations