Geometry & MOs

Info

ID:	296598
PubChem CID:	117585606
Reduced:	N6C13H18 (1)
Stoich.:	A6B13C18 (1)
Weight, g/mol:	249.195346
ΔH_f, kcal/mol:	68.32
Dipole, Da:	3.46
IP(EA), eV:	-8.0(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-aminopyrrolidin-1-yl)-N-(2,2-dimethylpropyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN(C1=CC=CN1)C2=NC=NC(=C2)N3CCC(C3)N

DOS

IR

Vibrations