Geometry & MOs

Info

ID:	210752
PubChem CID:	80851795
Reduced:	FN4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	261.138974
ΔH_f, kcal/mol:	-4.54
Dipole, Da:	4.7
IP(EA), eV:	-9.16(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyrimidine-2,4,6-triamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)NC2=NC=NC(=C2)N)F

DOS

IR

Vibrations