Geometry & MOs

Info

ID:	207688
PubChem CID:	80438011
Reduced:	ClC14H29 (1)
Stoich.:	AB14C29 (1)
Weight, g/mol:	293.109503
ΔH_f, kcal/mol:	-87.06
Dipole, Da:	2.8
IP(EA), eV:	-10.41(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloro-4-fluorophenyl)methyl]-6-(2-methylpropyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCCC(CC)CCC(CC(C)C)Cl

DOS

IR

Vibrations