Geometry & MOs

Info

ID:	357333
PubChem CID:	127293966
Reduced:	N6C19H24 (1)
Stoich.:	A6B19C24 (1)
Weight, g/mol:	304.226312
ΔH_f, kcal/mol:	66.4
Dipole, Da:	5.75
IP(EA), eV:	-8.57(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclopentyloxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1CCCN(C1)C2=NC=NC(=C2)NCC3=CN4C=CC(=CC4=N3)C

DOS

IR

Vibrations