Geometry & MOs

Info

ID:	145454
PubChem CID:	53527748
Reduced:	F3N3O3H16C17 (1)
Stoich.:	A3B3C3D16E17 (1)
Weight, g/mol:	193.121512
ΔH_f, kcal/mol:	-250.04
Dipole, Da:	9.86
IP(EA), eV:	-9.09(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-4-methoxypyrimidin-2-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NCCNC(=O)NC2=CC=C(C=C2)C(F)(F)F)O

DOS

IR

Vibrations