Geometry & MOs

Info

ID:	296601
PubChem CID:	117585635
Reduced:	ON4C13H22 (1)
Stoich.:	AB4C13D22 (1)
Weight, g/mol:	259.14331
ΔH_f, kcal/mol:	-31.3
Dipole, Da:	3.34
IP(EA), eV:	-8.6(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(1H-pyrrol-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC(C)(C)N(C)C1=NC=NC(=C1)N2CCC(C2)O

DOS

IR

Vibrations