Geometry & MOs

Info

ID:	276968
PubChem CID:	103826033
Reduced:	ClN4H9C14 (1)
Stoich.:	AB4C9D14 (1)
Weight, g/mol:	225.164126
ΔH_f, kcal/mol:	118.92
Dipole, Da:	5.2
IP(EA), eV:	-9.1(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylhexyl)-5-fluoropyrimidin-2-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)Cl)NCC2=CC(=NC=C2)C#N

DOS

IR

Vibrations