Geometry & MOs

Info

ID:	198291
PubChem CID:	79081307
Reduced:	ON2C10H16 (1)
Stoich.:	AB2C10D16 (1)
Weight, g/mol:	231.093853
ΔH_f, kcal/mol:	-16.95
Dipole, Da:	2.67
IP(EA), eV:	-9.41(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-fluoro-N-propan-2-yl-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)C2(CCC2)O

DOS

IR

Vibrations