Geometry & MOs

Info

ID:	296602
PubChem CID:	117585642
Reduced:	ON5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	264.195011
ΔH_f, kcal/mol:	12.44
Dipole, Da:	3.45
IP(EA), eV:	-8.77(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(4-methylpentylamino)pyrimidin-4-yl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1CN(CC1O)C2=NC=NC(=C2)NCC3=CC=CN3

DOS

IR

Vibrations