Geometry & MOs

Info

ID:	296593
PubChem CID:	117585575
Reduced:	N5C14H25 (1)
Stoich.:	A5B14C25 (1)
Weight, g/mol:	258.159295
ΔH_f, kcal/mol:	10.72
Dipole, Da:	4.36
IP(EA), eV:	-8.51(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-aminopiperidin-1-yl)-N-(1H-pyrrol-2-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)(C)N(C)C1=NC=NC(=C1)N2CCCC(C2)N

DOS

IR

Vibrations