Geometry & MOs

Info

ID:	210453
PubChem CID:	80809627
Reduced:	N5C12H15 (1)
Stoich.:	A5B12C15 (1)
Weight, g/mol:	261.138974
ΔH_f, kcal/mol:	63.47
Dipole, Da:	2.94
IP(EA), eV:	-9.06(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-ethyl-5-fluoro-2-N-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCN(CC1=CC=NC=C1)C2=NC=NC(=C2)N

DOS

IR

Vibrations