Geometry & MOs

Info

ID:	296573
PubChem CID:	117584592
Reduced:	FN5C13H16 (1)
Stoich.:	AB5C13D16 (1)
Weight, g/mol:	261.138974
ΔH_f, kcal/mol:	20.19
Dipole, Da:	2.92
IP(EA), eV:	-8.89(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-(2-aminoethyl)-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1F)C2=NC=NC(=C2)NCCN

DOS

IR

Vibrations