Geometry & MOs

Info

ID:	303892
PubChem CID:	124490724
Reduced:	ON4C12H18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	252.022104
ΔH_f, kcal/mol:	12.29
Dipole, Da:	1.47
IP(EA), eV:	-8.34(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[(1S)-1-chloroethyl]-6-phenylpyrimidine

Drug info:

PubChemData

Smile

C[C@H](C1=NC=C(O1)C(C)(C)C)N2C=C(C=N2)N

DOS

IR

Vibrations