Geometry & MOs

Info

ID:	296546
PubChem CID:	117582750
Reduced:	FN2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	256.168797
ΔH_f, kcal/mol:	-28.6
Dipole, Da:	2.61
IP(EA), eV:	-8.99(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN(CC1=NC=CC(=N1)N)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations